data_2n3u_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 2n3u _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 ' 486' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 487' ' ' SER . 53.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.766 0.317 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' SER . . . . . 0.428 ' N ' ' OG ' ' A' ' 486' ' ' SER . 51.2 p -46.73 -47.23 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.71 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -64.88 -66.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.429 HG21 HD13 ' A' ' 490' ' ' ILE . 15.5 mm -49.01 -39.62 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.58 -48.17 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.39 94.42 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.94 -45.58 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.527 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.76 -40.6 72.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 71.8 mt -81.88 -10.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.582 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.45 -76.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -87.32 28.21 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.72 -66.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.38 75.6 0.57 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 35.0 t -163.22 94.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -71.91 52.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.464 HD21 ' N ' ' A' ' 503' ' ' ASP . 0.5 OUTLIER -83.69 126.66 33.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.464 ' N ' HD21 ' A' ' 502' ' ' ASN . 49.3 t0 -72.16 5.79 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.688 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 502' ' ' ASN . 29.3 tt0 -83.67 -66.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.94 -47.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.3 -43.06 98.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.12 -9.73 12.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 82.9 mt -111.45 -39.57 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.714 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 61.3 mt -67.96 -54.4 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.513 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mt -43.12 -64.07 0.83 Allowed Pre-proline 0 C--N 1.331 -0.227 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.433 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.63 -55.59 3.45 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.602 2.202 . . . . 0.0 111.51 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.85 -11.0 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -103.36 -22.1 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -163.19 50.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.726 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.6 p -88.88 9.43 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 515' ' ' SER . 38.6 p 49.1 63.39 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 518' ' ' LEU . 26.1 t70 -173.71 -103.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.521 ' O ' ' O ' ' A' ' 519' ' ' PRO . 0.3 OUTLIER -34.68 155.09 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -44.83 -175.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.952 2.435 . . . . 0.0 112.129 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.96 9.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 523' ' ' ALA . 89.7 mt-10 -64.12 -88.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.621 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 51.1 p -52.77 -7.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 521' ' ' GLU . . . -71.78 -61.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.444 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -45.28 -62.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.4 mtt -43.08 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.42 -55.15 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 20.3 p -41.28 -45.83 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.624 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.51 -41.13 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.0 -52.37 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.35 -53.65 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.49 -46.29 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.01 -47.27 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 535' ' ' VAL . 73.2 t -70.11 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.608 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.79 19.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 533' ' ' VAL . 8.3 p -47.06 -42.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -83.62 -77.61 1.11 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 64.7 m -74.88 110.86 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 538' ' ' CYS . 20.7 p -89.78 126.14 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.473 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -83.33 -178.59 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 542' ' ' ILE . . . -96.15 -55.68 1.26 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.478 ' C ' ' HG1' ' A' ' 544' ' ' THR . 30.1 m-20 -44.4 -22.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.422 ' N ' ' C ' ' A' ' 540' ' ' GLY . 96.7 mt -77.47 -78.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 4.7 m -42.8 -25.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.478 ' HG1' ' C ' ' A' ' 541' ' ' ASP . 22.6 p -70.4 -53.84 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.522 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -48.14 71.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.189 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.25 -39.54 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' MET . . . . . 0.498 ' C ' ' H ' ' A' ' 549' ' ' ASN . 19.4 ttm -70.79 -56.17 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.212 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 544' ' ' THR . 27.4 m-20 -54.02 -8.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.265 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 553' ' ' ARG . 5.2 t-20 -87.45 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.191 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -46.58 -25.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.394 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.31 -79.6 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.374 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.503 ' CG ' HH12 ' B' ' 42' ' ' ARG . 15.0 mt-10 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.201 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 549' ' ' ASN . 9.2 ttp180 70.83 -78.43 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.735 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 54.94 -104.27 0.21 Allowed 'General case' 0 CA--C 1.543 0.682 1 N-CA-C 97.59 -4.967 . . . . 0.0 97.59 -169.607 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.693 ' C ' ' O ' ' A' ' 554' ' ' THR . . . -15.8 82.43 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -165.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 21.0 tt -130.93 -8.66 2.15 Favored 'Isoleucine or valine' 1 C--O 1.123 -5.585 0 C-N-CA 129.131 2.972 . . . . 0.0 110.999 -167.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 556' ' ' ILE . 29.4 mm-40 -34.65 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.364 1.233 1 O-C-N 129.288 4.117 . . . . 0.0 110.429 177.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 556' ' ' ILE . 47.2 mt -148.19 -179.93 7.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 560' ' ' THR . 57.1 tttm -172.46 145.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 29.3 m -167.82 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.466 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 40.5 p-10 -165.02 105.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -159.39 -8.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.41 -18.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -71.43 -55.13 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.61 -35.96 82.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.39 -55.59 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.65 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.46 -50.97 61.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -51.59 -56.94 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -45.6 -29.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.22 -66.38 1.92 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.5 pt -67.57 -6.46 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 569' ' ' ALA . 43.1 tp -46.21 -30.86 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -105.41 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 55.1 mtp -70.48 -43.74 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 151.72 -81.35 0.18 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -77.1 104.05 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -177.42 123.65 0.9 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -64.63 -6.2 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -50.36 -50.17 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 8.5 p -56.45 -43.67 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 1.1 m-20 -47.16 -47.1 23.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.29 -50.45 73.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.6 t -46.82 -56.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 68.2 mt -49.58 -35.4 20.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -60.09 -33.73 72.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 4.4 m -72.17 -45.32 60.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.543 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.74 -30.94 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 30.7 t -80.72 -31.18 36.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.05 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.1 tt -104.72 149.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.08 -134.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.511 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.94 73.8 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.43 14.65 0.92 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.038 2.492 . . . . 0.0 111.982 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 43.4 mtm -78.95 -38.36 37.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -2.43 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 62.5 m -41.34 -52.92 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.7 -41.83 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 602' ' ' LEU . 18.3 mt -67.28 -49.6 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.26 -30.96 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 36.2 t -79.36 -30.51 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 599' ' ' ILE . 1.8 tt -67.8 -67.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.71 -42.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.68 -60.52 8.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 23.7 p -45.22 -35.96 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.6 m -82.01 -178.83 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.553 ' HB3' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -101.95 106.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -102.42 151.87 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.09 156.85 17.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.21 106.24 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.129 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -92.18 121.26 33.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p -84.87 161.19 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.72 4.48 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.6 p -93.41 -52.35 4.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.07 57.65 0.02 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -165.72 153.54 10.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -121.03 155.57 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.48 129.26 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.666 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -97.91 103.4 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mp -108.99 132.2 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -88.12 113.11 23.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.4 m -133.38 -168.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.912 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.1 mt-10 -140.44 179.31 1.29 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.071 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.513 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.4 Cg_exo -74.63 -35.91 3.23 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.738 2.292 . . . . 0.0 112.169 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -76.26 -11.93 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.2 m-20 -60.43 135.86 57.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.534 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 4.1 p -89.98 136.1 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -41.98 -39.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.342 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.35 -45.02 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.316 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.434 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 2.9 m-20 -60.17 -38.12 82.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.224 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.66 -53.98 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -49.38 -40.36 35.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.272 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.9 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.324 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -53.67 -36.71 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.372 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -67.74 -49.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -52.16 -33.3 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.434 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -74.65 -35.86 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.47 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -68.18 -57.75 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.473 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.3 -95.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.71 6.95 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 68.5 mt -73.18 129.65 85.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.65 0.262 . . . . 0.0 110.433 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.97 138.29 25.53 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.588 2.192 . . . . 0.0 111.935 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.565 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.29 -50.66 9.82 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.3 . . . . 0.0 112.006 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.71 -3.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.565 ' H ' ' C ' ' B' ' 38' ' ' PRO . 6.1 mt-30 -135.02 68.53 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -152.82 157.63 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.716 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.503 HH12 ' CG ' ' A' ' 552' ' ' GLU . 22.0 ttm180 -151.09 103.78 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -100.07 125.41 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.408 HD11 HG23 ' B' ' 44' ' ' ILE . 12.5 mt -124.21 142.12 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.257 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.3 t80 -143.23 160.83 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.29 90.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 149.46 -61.88 0.42 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' B' ' 49' ' ' GLN . 35.3 tttt -175.91 -151.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.409 ' H ' ' HG2' ' B' ' 48' ' ' LYS . 23.4 tt0 -97.0 145.81 25.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -88.39 117.9 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.59 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -85.31 158.6 20.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.75 152.56 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 91.82 -66.33 2.24 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -40.89 164.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.648 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -110.54 155.5 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 83.8 mt -56.03 -16.86 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.513 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 14.9 m -74.8 -38.34 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -54.48 -41.82 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.651 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -87.58 18.34 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.61 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.408 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 1.6 p-10 42.21 32.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.89 110.84 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.413 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -87.11 -172.07 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.553 ' HB3' ' HB3' ' B' ' 1' ' ' MET . 14.6 ptpt -74.85 161.21 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 58.77 26.46 14.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -86.79 132.01 33.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -85.29 118.18 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.525 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.45 112.29 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -74.13 106.77 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.412 HD12 ' H ' ' B' ' 70' ' ' VAL . 47.5 tp -99.56 133.79 43.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.412 ' H ' HD12 ' B' ' 69' ' ' LEU . 11.6 t -136.91 144.53 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 mp -81.17 167.72 19.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.692 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 61.6 ttt180 -65.44 168.01 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 13.5 tp -79.55 92.69 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -134.62 -152.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.25 128.19 1.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.853 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.528 ' HE2' ' HG3' ' C' ' 19' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -105.37 105.58 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.626 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 pt -95.98 149.19 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -105.46 148.77 26.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.56 95.71 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.153 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -81.2 130.05 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.664 ' OG1' ' N ' ' C' ' 10' ' ' GLY . 9.7 p -90.63 143.72 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.176 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' C' ' 7' ' ' THR . 84.6 mt -36.13 -48.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 21.6 p -158.96 51.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.377 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . 0.664 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -128.48 -71.48 0.15 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.558 ' CG ' ' N ' ' C' ' 12' ' ' THR . 0.0 OUTLIER -174.84 169.92 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.963 0.411 . . . . 0.0 110.775 -179.623 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' THR . . . . . 0.558 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 11.5 m -103.17 101.42 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -86.53 137.59 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -111.25 127.59 55.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.111 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mt -128.1 135.64 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.833 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.22 107.34 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' C' ' 1' ' ' MET . 15.4 m -127.57 -172.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.507 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 1.6 mt-10 -135.7 178.47 1.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.109 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.528 ' HG3' ' HE2' ' C' ' 1' ' ' MET . 3.3 Cg_exo -74.77 -26.49 11.36 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.745 2.297 . . . . 0.0 112.135 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.46 1.18 55.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 5.3 m-20 -73.57 136.06 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -88.85 141.55 28.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.747 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.401 HG22 HD11 ' C' ' 23' ' ' ILE . 27.1 mm -45.63 -51.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.349 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -48.73 -42.33 34.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.306 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.466 HD22 ' NZ ' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -60.09 -45.53 92.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.189 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.92 -52.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.146 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -50.52 -34.51 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -44.64 83.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . 0.466 ' NZ ' HD22 ' C' ' 25' ' ' ASN . 48.1 mttm -60.14 -34.69 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.39 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mt -70.6 -44.84 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -57.82 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -74.8 -34.42 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.46 -108.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.1 12.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -82.63 121.45 77.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 110.494 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.92 141.91 34.09 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.641 2.227 . . . . 0.0 111.88 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.621 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -46.75 16.07 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -61.43 8.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.621 ' H ' ' C ' ' C' ' 38' ' ' PRO . 2.4 mm100 -141.88 35.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -126.87 171.44 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -172.12 95.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.68 117.58 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mt -114.79 132.45 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.507 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' C' ' 48' ' ' LYS . 74.6 t80 -133.34 128.84 36.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.553 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.67 28.68 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.41 -14.17 55.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' C' ' 45' ' ' PHE . 1.4 mptm? -89.13 114.6 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.315 . . . . 0.0 110.616 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -74.31 134.61 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.68 131.89 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -93.28 159.13 15.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.05 157.56 36.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.521 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 92.31 -62.18 2.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 53' ' ' GLY . 25.8 mmt-85 -42.93 168.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 39.1 p -118.69 156.7 28.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.07 -12.69 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -83.57 -30.88 26.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.65 -39.3 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.82 -1.96 57.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 73.63 1.67 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -46.09 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.02 -160.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' C' ' 1' ' ' MET . 50.0 pttt -80.3 160.2 25.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.768 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 54.01 25.89 5.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.73 129.84 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -86.65 111.97 21.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.31 125.79 50.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -81.82 105.17 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.18 112.49 15.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.2 155.4 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.734 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 20.9 mt -102.78 163.7 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.385 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' SER . . . . . 0.413 ' HG ' ' N ' ' A' ' 487' ' ' SER . 84.2 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.812 0.339 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' SER . . . . . 0.413 ' N ' ' HG ' ' A' ' 486' ' ' SER . 67.9 m -64.37 -48.86 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.595 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -55.73 -29.23 59.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.58 49.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.2 -35.33 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.31 -70.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.518 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -44.41 -39.36 5.63 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 6.7 tp -68.06 -35.92 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 110.507 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.5 -35.31 61.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 495' ' ' ILE . 11.1 mm -86.83 -16.9 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.578 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -64.95 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 45.4 p90 -83.71 27.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.58 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.493 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -94.08 -150.59 27.1 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 15.5 p 43.58 71.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -72.8 53.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.53 -172.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.648 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -101.58 10.43 40.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -91.18 -46.93 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.208 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 16.0 t -41.86 -50.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.383 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' A' ' 508' ' ' LEU . 9.9 mp -80.29 -36.62 34.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.525 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.02 1.7 1.24 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 506' ' ' LEU . 8.8 tp -139.63 -47.49 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 509' ' ' LEU . 4.8 tt -65.29 -54.79 23.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.551 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.4 tp -43.21 -62.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.766 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -47.23 -51.13 9.96 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.356 2.038 . . . . 0.0 111.677 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.8 mt -53.32 -17.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -83.87 -38.4 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -151.98 50.99 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.721 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -83.91 21.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 515' ' ' SER . 63.3 p 50.43 54.4 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.62 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -177.39 -30.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.602 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.6 mm? -85.45 141.78 37.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -46.89 -172.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.746 2.297 . . . . 0.0 111.915 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 555' ' ' ALA . 59.3 mt -104.88 -29.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -64.23 -68.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 32.0 p -49.54 -34.81 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -68.25 -49.78 58.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.83 60.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.4 mtt -71.56 -36.08 70.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -58.14 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.8 t -58.29 -31.01 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.8 tt -56.42 -59.89 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.71 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.1 tt -43.39 -50.71 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.84 -43.46 92.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -46.1 -49.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.6 t -72.54 -58.82 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.535 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -77.24 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 533' ' ' VAL . 15.0 p -47.6 -40.68 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -81.13 -99.34 0.37 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.02 110.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 28.6 t -94.93 131.17 41.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.76 178.19 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 542' ' ' ILE . . . -100.19 -57.33 0.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.509 ' CG ' HH22 ' B' ' 74' ' ' ARG . 72.1 m-20 -41.0 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 0.0 110.625 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 540' ' ' GLY . 97.1 mt -72.97 -59.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 10.2 m -58.28 -40.21 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 75.2 p -54.15 -57.58 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.553 ' HG ' ' N ' ' A' ' 546' ' ' ILE . 70.8 p -60.16 -53.37 58.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.391 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . 0.553 ' N ' ' HG ' ' A' ' 545' ' ' SER . 0.6 OUTLIER -51.26 -37.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.09 -39.6 60.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.461 ' OD2' ' O ' ' B' ' 71' ' ' LEU . 76.8 m-20 -48.63 -36.15 15.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.222 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 553' ' ' ARG . 4.4 m120 -77.84 -58.29 3.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -40.36 -36.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 37.4 mt -91.01 -77.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.6 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.12 -43.54 98.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.859 ' O ' ' C ' ' A' ' 554' ' ' THR . 26.6 ttm-85 72.68 -61.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.859 ' C ' ' O ' ' A' ' 553' ' ' ARG . 0.0 OUTLIER 26.77 -123.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 1 N-CA-C 97.718 -4.919 . . . . 0.0 97.718 -179.733 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.673 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 15.36 50.46 0.0 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.751 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -108.82 -2.63 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.717 -179.011 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' ILE . 33.2 mt-10 -33.84 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 556' ' ' ILE . 85.2 mt -137.07 175.85 9.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.353 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.462 ' O ' ' OG1' ' A' ' 560' ' ' THR . 34.6 pttt -176.27 127.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.693 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 m -168.62 68.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.508 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 560' ' ' THR . 36.2 t0 59.68 121.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 24.0 p-90 -179.42 -0.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 11.8 p -70.41 -35.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -60.01 -49.46 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -66.64 -53.08 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 tp -47.73 -56.38 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.87 -29.86 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.38 -59.73 4.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.7 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -53.69 -23.06 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -77.64 -66.59 1.75 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.1 tp -63.92 -20.24 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.3 tp -46.0 -63.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.487 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -80.01 112.65 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.1 ttt -43.98 -80.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 169.43 -174.83 43.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 44.89 73.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -179.79 131.37 1.64 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -68.52 3.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.669 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.444 ' H ' ' C ' ' A' ' 578' ' ' GLY . 21.2 mt-30 -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.57 -36.89 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -54.09 -54.31 41.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 586' ' ' GLU . 16.2 t70 -55.54 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.8 t -40.96 -52.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.43 -33.1 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 583' ' ' ASP . 11.5 tt0 -60.94 -37.92 84.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.506 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.5 OUTLIER -65.45 -51.18 61.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.3 mt -48.37 -31.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.1 t -85.48 -21.82 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.531 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -67.97 -37.06 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 592' ' ' GLU . 2.4 tp -83.23 154.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.511 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 591' ' ' ILE . 94.3 mt-10 -59.48 -127.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.512 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 44.1 75.5 0.64 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.28 -0.62 10.27 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.024 2.483 . . . . 0.0 111.971 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 4.5 ptm -73.21 -10.62 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 44.6 p -79.5 -3.58 47.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 5.9 t -43.3 -45.76 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.93 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.88 -27.67 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -62.97 -50.94 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.22 -34.07 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.88 -69.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.57 -19.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.5 -64.75 2.83 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 m -53.67 -59.48 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.643 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.6 118.79 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.557 ' N ' ' O ' ' B' ' 17' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -105.68 121.15 43.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -124.44 153.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -106.3 143.84 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -123.56 105.75 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.314 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -80.78 158.6 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.713 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.3 p -139.3 143.43 37.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.8 -3.66 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.538 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -94.68 12.11 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.03 72.38 0.85 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -170.38 140.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 110.611 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -124.44 113.72 18.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.422 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -98.21 133.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.8 m -101.64 119.46 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.234 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.13 135.04 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -90.57 93.14 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.25 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.1 m -115.35 -166.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.441 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.5 mt-10 -136.93 177.71 2.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.037 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.16 -24.43 12.58 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.81 2.34 . . . . 0.0 112.35 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -89.1 -11.03 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.1 m-20 -60.16 141.52 55.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.666 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 67.3 p -92.29 147.46 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.66 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mm -50.0 -48.82 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.367 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -50.78 -41.02 56.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.335 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.527 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 14.2 t-20 -62.28 -43.97 97.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.331 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.25 -48.45 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -53.62 -44.09 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.226 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.12 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.6 mttp -56.06 -43.93 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.216 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.27 -44.64 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.358 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.06 -42.57 89.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.474 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -69.85 -66.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.57 -110.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.06 25.65 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.563 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 49.8 mt -95.42 115.51 65.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.61 0.243 . . . . 0.0 110.511 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.04 137.94 12.9 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.65 2.233 . . . . 0.0 111.814 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -52.87 6.73 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.745 2.296 . . . . 0.0 112.036 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -70.1 38.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.534 ' H ' ' C ' ' B' ' 38' ' ' PRO . 52.9 mt-30 -158.11 40.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.563 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 33.2 mt-30 -146.02 110.82 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.819 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -89.93 108.18 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.1 121.82 39.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.939 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.408 HD13 HG22 ' B' ' 44' ' ' ILE . 60.7 mt -124.47 139.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.17 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' B' ' 47' ' ' GLY . 84.9 t80 -153.6 116.8 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 47' ' ' GLY . . . 38.15 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.762 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -35.97 -75.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.441 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 40.4 tttt -174.87 -141.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.902 0.382 . . . . 0.0 110.55 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.441 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 18.4 tt0 -87.52 130.62 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.328 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.69 119.47 23.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.631 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -71.04 159.85 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -83.72 101.25 11.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.52 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 150.68 -63.27 0.4 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.67 ' HE ' ' N ' ' B' ' 54' ' ' ARG . 3.9 mmp_? -46.92 176.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.559 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.447 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 53.5 p -111.38 176.86 4.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.23 3.15 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.734 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.447 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 20.7 p -92.29 -38.99 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -58.57 -29.44 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -95.48 8.66 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.446 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER 52.16 28.07 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.71 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.09 104.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.99 -157.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -88.17 157.55 18.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.744 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.78 29.76 16.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -88.38 128.74 35.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.6 m -88.9 110.55 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' B' ' 67' ' ' LEU . 6.7 mp -92.93 112.12 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.474 ' NE2' ' OD2' ' A' ' 583' ' ' ASP . 14.6 m80 -69.62 112.98 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 6.4 tt -102.58 125.77 49.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.43 ' N ' HD23 ' B' ' 69' ' ' LEU . 29.2 t -124.56 162.8 25.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.461 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 5.0 mp -130.0 138.98 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' B' ' 74' ' ' ARG . 91.7 mtt180 -61.02 -171.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.642 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 2.0 mm? -65.55 69.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.509 HH22 ' CG ' ' A' ' 541' ' ' ASP . 33.4 ttp85 -65.5 -1.44 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' B' ' 73' ' ' LEU . . . 56.96 -142.69 41.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.027 -1.43 . . . . 0.0 110.983 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.572 ' N ' ' O ' ' C' ' 17' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -82.21 117.64 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 pt -120.62 150.86 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.518 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.49 95.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.251 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -79.63 123.15 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.541 ' O ' ' N ' ' C' ' 9' ' ' THR . 74.9 p -70.63 150.1 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.211 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' C' ' 7' ' ' THR . 16.1 tp -36.14 -28.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.541 ' N ' ' O ' ' C' ' 7' ' ' THR . 0.0 OUTLIER 167.87 73.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.489 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.01 -75.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.565 ' CG ' ' N ' ' C' ' 12' ' ' THR . 24.1 tttp -140.83 162.71 34.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.68 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' THR . . . . . 0.565 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 88.2 m -114.95 113.89 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.392 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.34 154.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -122.53 109.21 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' C' ' 15' ' ' LEU . 10.6 mp -111.23 140.12 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.929 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -93.49 121.87 35.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.103 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' C' ' 1' ' ' MET . 3.7 m -144.49 -175.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.958 0.409 . . . . 0.0 110.944 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.534 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 34.8 mt-10 -132.2 147.45 65.8 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.134 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -30.43 7.28 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.969 2.446 . . . . 0.0 112.55 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -82.16 -12.29 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.118 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 21.1 m-20 -59.37 141.97 53.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.919 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -90.26 144.17 26.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.582 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -47.58 -55.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -46.31 -41.52 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.366 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.484 ' C ' HD21 ' C' ' 25' ' ' ASN . 0.1 OUTLIER -61.04 -42.04 97.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.235 179.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.32 -46.02 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.151 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -54.47 -41.32 69.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.123 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.04 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.17 -38.7 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.226 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.67 -40.69 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.328 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.452 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 34.1 tp60 -58.76 -38.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.344 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.97 -35.16 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.45 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -92.63 -108.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.98 19.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 40.0 mt -89.36 107.68 19.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.495 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.14 143.42 4.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.652 2.234 . . . . 0.0 111.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.93 -58.24 1.76 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.767 2.312 . . . . 0.0 112.012 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -48.72 -32.46 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.679 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -92.94 53.89 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 54.7 mt-30 -156.57 147.99 22.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.61 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.504 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 2.4 tpt180 -144.87 106.78 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.15 118.64 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 41.3 mt -120.58 123.98 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 50.4 t80 -140.87 154.91 46.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 44.04 42.7 5.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.67 46.2 59.55 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -159.73 135.24 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.644 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.504 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 34.2 tt0 -76.67 136.02 39.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.81 122.9 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -80.5 158.35 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 165.51 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.96 -64.35 4.25 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -46.25 168.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.6 p -111.29 171.12 7.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 62.3 mt -67.01 -14.52 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.487 ' C ' ' H ' ' C' ' 59' ' ' TYR . 83.6 p -77.31 -29.74 53.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' C' ' 58' ' ' ASP . 1.5 m-20 -74.01 15.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.692 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' C' ' 57' ' ' SER . 89.8 m-85 -144.97 20.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 11.7 p30 43.14 36.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -81.6 97.3 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.353 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -82.18 -168.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.714 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.3 160.2 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 56.61 35.15 25.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.734 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -91.95 135.79 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -88.92 112.29 23.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.89 112.42 24.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -73.22 102.09 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.17 117.04 22.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.54 121.84 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.461 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.93 144.34 36.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.786 0.326 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 29.4 t -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.0 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -60.72 -69.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 490' ' ' ILE . 10.1 mm -55.76 -25.28 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.46 -67.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.4 -48.45 85.94 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 1.9 tp -60.77 -31.76 71.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.537 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -58.46 -55.34 31.29 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.9 tt -78.52 -7.23 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 0.0 110.684 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -69.13 -67.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 1.6 p90 -79.34 28.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -54.17 -59.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.517 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -101.55 66.57 0.45 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 68.9 p -156.17 77.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -86.5 57.48 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -94.94 177.4 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.75 3.6 40.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.527 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 32.1 tt0 -89.1 -57.02 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 31.9 t -41.09 -47.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.631 ' C ' ' H ' ' A' ' 508' ' ' LEU . 64.7 mt -72.41 -51.63 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -50.67 -3.69 0.05 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.631 ' H ' ' C ' ' A' ' 506' ' ' LEU . 9.5 tp -121.0 -56.71 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.78 -33.76 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.553 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.0 tp -62.13 -62.35 5.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.778 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.598 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -46.51 -55.45 3.76 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.419 2.079 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.94 -21.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.398 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -85.24 -23.74 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -169.65 59.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.657 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.1 p -74.28 -6.68 49.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.413 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 73' ' ' LEU . 0.2 OUTLIER 73.6 46.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.541 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.41 ' OD1' ' OG ' ' A' ' 515' ' ' SER . 9.8 p-10 -171.33 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 519' ' ' PRO . 19.3 mt -91.41 143.51 28.3 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.488 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -46.54 -173.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.754 2.302 . . . . 0.0 112.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 7.9 mt -97.92 -21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -51.63 -93.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.5 p -41.3 -43.97 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.654 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.88 -53.59 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.24 -36.87 53.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.2 tpt -63.21 -51.54 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.47 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.496 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -60.85 -58.59 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.454 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.34 -55.0 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.0 -37.59 6.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.43 -41.58 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.467 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.45 -46.28 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.553 ' C ' ' H ' ' A' ' 535' ' ' VAL . 60.7 t -67.37 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.654 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.39 26.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.7 p -48.57 -30.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.51 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.57 -101.5 0.47 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.21 121.23 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.547 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 573' ' ' LEU . 94.1 m -96.71 127.82 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.481 ' CG ' ' H ' ' A' ' 540' ' ' GLY . 9.4 t-20 -84.21 -178.21 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.481 ' H ' ' CG ' ' A' ' 539' ' ' ASN . . . -98.01 -55.8 1.11 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.488 ' O ' ' OG1' ' A' ' 544' ' ' THR . 63.8 m-20 -42.88 -31.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.39 -46.37 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.5 m -70.44 -23.55 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 32.9 p -69.08 -54.25 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 63.0 p -63.12 -51.28 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.223 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -50.4 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.315 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 81.2 mmm -61.57 -49.17 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -46.59 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.249 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 553' ' ' ARG . 31.9 t-20 -54.3 -60.21 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.184 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -45.8 -34.31 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.358 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 42.1 mt -83.08 -77.18 0.25 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.523 ' CG ' HH12 ' B' ' 42' ' ' ARG . 27.1 mt-10 -55.17 -43.34 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.1 OUTLIER 71.01 -23.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.896 ' C ' ' H ' ' A' ' 556' ' ' ILE . 99.1 m -28.09 -40.65 0.02 OUTLIER 'General case' 0 C--N 1.26 -3.29 0 CA-C-O 125.327 2.489 . . . . 0.0 111.002 -162.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.747 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . -45.64 3.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 112.712 -2.04 . . . . 0.0 109.56 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.896 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -42.66 -3.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.286 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.744 ' H ' ' C ' ' A' ' 555' ' ' ALA . 33.9 mt-10 -78.49 70.22 4.81 Favored 'General case' 0 CA--C 1.547 0.849 1 N-CA-C 98.972 -4.455 . . . . 0.0 98.972 -175.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.504 HD21 ' H ' ' A' ' 558' ' ' LEU . 1.4 pt? -110.14 -179.85 3.9 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.444 ' N ' ' HG ' ' A' ' 558' ' ' LEU . 56.6 tttm -145.91 -11.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.5 p -148.14 -137.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.657 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -78.16 166.81 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 8.1 p90 -171.38 -45.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.609 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.8 p -49.99 -24.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -72.3 -74.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -55.14 -48.19 74.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 tp -49.77 -56.76 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.54 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.72 75.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.3 tp -45.79 -43.53 13.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.43 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.22 -4.15 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -86.58 -61.34 1.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.3 tt -76.64 -14.8 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.472 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 19.9 tp -43.21 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -64.12 121.24 13.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' MET . . . . . 0.582 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 1.0 OUTLIER -80.36 -67.14 0.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.582 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -73.72 63.93 1.89 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -49.74 144.13 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.594 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 162.36 -133.63 3.18 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -57.42 -23.21 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -58.84 -51.24 70.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.54 -34.57 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.89 -42.81 80.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -65.97 -41.35 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -50.68 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.72 -47.95 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -49.1 -44.68 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 1.3 m -64.91 -49.54 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.27 -21.06 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.518 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 48.8 m -90.09 -25.9 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.25 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 2.3 tp -87.67 156.83 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.551 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -70.09 -114.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 595' ' ' MET . 36.4 m80 41.15 53.03 6.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.49 -10.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.019 2.48 . . . . 0.0 112.02 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 593' ' ' HIS . 10.7 mmt -76.69 -12.27 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 59.8 p -81.89 -9.99 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 9.9 t -45.79 -42.74 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.07 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.96 -47.36 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.626 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -53.24 -46.91 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . 0.421 ' O ' ' OG ' ' A' ' 605' ' ' SER . 45.9 t -63.1 -26.18 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 2.1 tt -76.84 -71.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.05 -33.59 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.17 -49.33 62.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 601' ' ' VAL . 36.6 m -52.09 -51.57 56.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.23 118.41 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.495 ' HG3' ' H2 ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -86.09 112.78 21.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 pt -102.82 150.63 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.697 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -103.43 142.15 34.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.32 106.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.383 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -96.33 122.99 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.528 ' C ' ' H ' ' B' ' 9' ' ' THR . 80.9 p -85.03 157.11 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.08 2.25 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.528 ' H ' ' C ' ' B' ' 7' ' ' THR . 30.6 p -93.61 -45.73 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.5 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.67 5.63 1.93 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.464 ' HZ1' ' CD ' ' B' ' 34' ' ' GLU . 83.0 tttt -97.46 137.42 36.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -111.84 146.86 36.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.76 129.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.687 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -97.25 128.77 44.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -130.77 132.35 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.15 114.31 21.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.301 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.416 ' CG2' ' SD ' ' B' ' 1' ' ' MET . 5.4 m -137.23 -174.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.522 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 84.9 mt-10 -142.6 147.4 42.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.251 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.76 -10.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.744 2.296 . . . . 0.0 112.216 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.514 ' H ' ' C ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -106.28 15.96 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 3.3 m-20 -89.63 133.36 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.433 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.1 p -82.13 134.61 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.413 HG22 HD11 ' B' ' 23' ' ' ILE . 30.1 mm -41.81 -50.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -51.3 -39.5 57.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.321 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 22' ' ' THR . 0.5 OUTLIER -63.03 -42.77 99.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.286 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.11 -51.97 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.354 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -50.51 -42.49 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.297 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.35 89.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -56.83 -41.41 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 mt -63.2 -48.04 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.486 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -54.78 -32.69 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 38.5 t0 -74.9 -26.74 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -81.98 -64.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.464 ' CD ' ' HZ1' ' B' ' 11' ' ' LYS . 14.1 mm-40 -84.8 -106.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.03 13.43 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 53.3 mt -83.44 127.91 66.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.552 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.38 141.58 32.04 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.632 2.221 . . . . 0.0 111.94 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.669 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.63 -50.97 9.69 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.797 2.332 . . . . 0.0 112.028 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.76 9.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.669 ' H ' ' C ' ' B' ' 38' ' ' PRO . 12.3 mt-30 -143.83 54.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -147.32 129.78 15.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.523 HH12 ' CG ' ' A' ' 552' ' ' GLU . 20.6 ttm180 -125.54 109.73 13.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.421 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -98.95 125.17 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -124.78 139.97 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.375 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 80.4 t80 -130.25 176.96 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.59 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -38.58 -28.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -86.15 -92.06 0.89 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -146.74 -144.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.376 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -91.83 135.73 33.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -83.98 129.22 34.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.604 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -93.02 159.02 15.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -67.23 162.2 23.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.03 -68.14 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.8 mmt180 -41.37 166.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.586 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -115.22 162.81 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.5 mt -55.08 -40.74 70.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.423 ' C ' ' H ' ' B' ' 59' ' ' TYR . 5.6 p -56.22 -24.12 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.543 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 6.0 m-20 -80.86 26.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 78.8 m-85 -155.41 8.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.626 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 55.59 26.83 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.708 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.95 95.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.414 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -67.47 -156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -90.87 159.15 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.769 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 56.72 28.48 14.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -80.57 132.12 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -89.48 109.4 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.27 125.37 41.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.531 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 105.0 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.43 HD11 ' H ' ' B' ' 70' ' ' VAL . 48.3 tp -96.51 134.62 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.43 ' H ' HD11 ' B' ' 69' ' ' LEU . 16.3 t -133.2 152.29 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 8.9 mp -89.04 166.83 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.505 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 35.1 ttt180 -67.31 167.33 12.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.477 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 6.8 tp -75.88 60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -88.32 -171.9 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 -115.17 4.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.939 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.453 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.67 104.0 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.9 pt -101.67 147.84 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . 0.443 ' CE1' ' OG1' ' C' ' 14' ' ' THR . 71.4 m-85 -104.9 139.4 39.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.785 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.68 96.06 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . 0.527 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 32.2 ttmt -80.03 118.94 22.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.608 ' HG1' ' N ' ' C' ' 10' ' ' GLY . 56.2 p -77.19 142.63 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.173 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' C' ' 7' ' ' THR . 14.3 tp -39.25 -49.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.528 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 31.5 p -156.75 68.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . 0.608 ' N ' ' HG1' ' C' ' 7' ' ' THR . . . -152.77 -82.66 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.57 ' N ' ' OG1' ' C' ' 7' ' ' THR . 0.1 OUTLIER -155.88 167.1 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.657 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' THR . . . . . 0.568 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 24.5 m -107.59 102.44 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.37 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -76.23 164.13 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' THR . . . . . 0.443 ' OG1' ' CE1' ' C' ' 4' ' ' PHE . 2.1 m -136.95 121.55 18.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.31 172.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mt -130.21 141.82 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.847 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -86.86 116.6 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.2 m -130.53 178.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.708 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.56 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 12.4 mt-10 -131.19 144.45 53.55 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.371 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -11.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.83 2.353 . . . . 0.0 112.244 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.8 OUTLIER -96.97 -23.31 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.723 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.56 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -49.14 140.38 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.481 ' HG1' ' H ' ' C' ' 25' ' ' ASN . 4.2 p -95.78 137.07 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.98 -47.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.465 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -50.36 -49.92 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.292 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.481 ' H ' ' HG1' ' C' ' 22' ' ' THR . 2.9 m-20 -56.27 -44.05 79.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.271 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.84 -54.93 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.179 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 79.8 mttt -49.26 -38.19 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.38 86.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.408 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.05 -32.54 71.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -70.05 -38.86 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -65.07 -35.93 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.22 -21.34 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -85.16 -60.2 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -89.26 -82.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.25 1.31 0.06 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 55.9 mt -73.84 133.65 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.497 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -74.12 142.03 30.26 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.671 2.247 . . . . 0.0 111.898 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.617 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.25 -46.43 16.7 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.773 2.315 . . . . 0.0 112.008 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.69 27.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.617 ' H ' ' C ' ' C' ' 38' ' ' PRO . 58.4 mt-30 -156.96 42.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.517 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 74.9 mt-30 -147.11 111.05 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.575 ' NE ' ' NE2' ' C' ' 49' ' ' GLN . 2.9 tpt180 -103.47 102.14 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.16 115.74 19.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 67.7 mt -117.59 141.35 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -144.33 118.36 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 31.39 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 4.41 85.25 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -106.8 117.32 33.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.575 ' NE2' ' NE ' ' C' ' 42' ' ' ARG . 35.6 tt0 -73.32 130.81 40.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.48 140.03 30.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -92.8 159.05 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.43 162.75 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.67 -52.99 4.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -53.29 153.05 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 14.3 p -92.85 164.47 13.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.8 -37.25 83.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.709 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.422 ' C ' ' H ' ' C' ' 59' ' ' TYR . 19.8 p -57.1 -23.82 49.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.658 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.53 20.02 0.59 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.422 ' H ' ' C ' ' C' ' 57' ' ' SER . 79.8 m-85 -148.75 10.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.508 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 55.54 25.81 8.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.5 mt -74.32 93.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.493 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -73.03 -156.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.68 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -91.09 162.6 14.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.763 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 58.19 18.22 5.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.733 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.9 m -69.24 170.18 10.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -126.97 94.96 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.593 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.29 119.99 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -79.83 100.09 7.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.15 101.46 9.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.449 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -101.72 128.67 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.69 159.44 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.806 0.336 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.9 t -45.78 -68.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -45.16 -38.26 5.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.623 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.91 -73.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 21.5 mm -53.36 -16.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.5 -79.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.456 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.54 -45.56 53.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.21 -22.93 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -62.06 -41.82 99.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 93.4 mt -87.4 -13.72 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.54 76.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.506 ' C ' ' H ' ' A' ' 499' ' ' GLY . 63.3 m-85 -44.16 -35.51 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.1 -12.07 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -79.83 93.43 1.38 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 2.0 m 64.94 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -78.28 54.67 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -77.91 -170.5 1.92 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 15.34 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -87.66 -52.56 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.288 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 50.0 t -43.6 -40.01 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.336 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.541 ' C ' ' H ' ' A' ' 508' ' ' LEU . 16.0 mt -77.23 -48.52 17.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.08 -9.6 0.12 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' A' ' 506' ' ' LEU . 38.8 mt -109.72 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.775 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.41 -36.51 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.3 mt -58.58 -66.01 1.63 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.3 -63.51 0.32 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.644 2.229 . . . . 0.0 111.824 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 64.9 mt -51.91 -19.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -98.61 -26.52 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -157.61 62.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.0 p -103.98 -0.38 28.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.374 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 515' ' ' SER . 63.4 p 50.39 37.07 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -145.6 9.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 519' ' ' PRO . 0.3 OUTLIER -164.71 154.27 11.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.637 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.464 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.49 -178.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.96 2.44 . . . . 0.0 111.944 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.412 ' H ' ' CD1' ' A' ' 558' ' ' LEU . 14.0 pt -139.51 40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.67 -47.92 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 85.0 m -84.84 -19.78 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.18 -47.13 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.04 -54.65 40.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.0 mtt -54.62 -45.81 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -60.36 -47.07 87.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 m -44.96 -49.87 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.5 tp -57.91 -59.57 5.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.86 -34.39 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -31.05 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.384 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 528' ' ' LEU . . . -73.26 -53.43 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . 0.488 ' N ' ' HD1' ' A' ' 532' ' ' HIS . 0.3 OUTLIER -49.58 -47.15 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.663 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.9 t -64.08 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -73.7 25.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -50.84 -42.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -84.13 -56.33 2.59 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 40.8 p -69.57 -169.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 24.0 p -167.65 170.04 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -158.52 163.22 37.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -89.83 -46.44 4.23 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -31.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.719 0.295 . . . . 0.0 110.592 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 92.1 mt -70.26 -74.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.7 m -43.42 -46.89 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.486 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.559 ' HG1' ' H ' ' A' ' 545' ' ' SER . 20.6 p -47.82 -58.36 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.559 ' H ' ' HG1' ' A' ' 544' ' ' THR . 74.1 p -58.48 -59.42 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.31 -32.06 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.284 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 549' ' ' ASN . 7.1 tpt -75.68 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER -42.92 -24.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.413 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 553' ' ' ARG . 77.1 m-20 -79.95 -53.82 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -49.44 -34.23 16.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.532 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 7.3 mp -85.11 -77.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.04 -43.17 75.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.701 ' O ' ' N ' ' A' ' 555' ' ' ALA . 6.1 ttm180 72.42 -69.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.729 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 38.09 -56.1 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.224 1 C-N-CA 136.215 5.806 . . . . 0.0 104.506 -177.447 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -37.25 -18.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.244 0.545 . . . . 0.0 109.777 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.729 ' N ' ' O ' ' A' ' 554' ' ' THR 0.268 0.8 OUTLIER -4.36 -43.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 161.568 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.731 ' N ' ' O ' ' A' ' 555' ' ' ALA . 14.7 mm-40 5.12 -64.06 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.64 167.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' A' ' 556' ' ' ILE . 20.5 mt -104.27 163.88 12.11 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -141.48 -170.92 3.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 2.9 m 68.45 108.42 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 59.66 104.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.8 p90 -172.88 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.627 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.6 p -71.1 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -52.76 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -52.0 -48.47 64.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.5 tp -49.55 -40.96 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -59.54 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 14.8 mt -46.48 -44.45 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -55.65 -69.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -43.44 -24.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.63 -73.6 1.13 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.4 mm -64.44 -5.46 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.462 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 569' ' ' ALA . 32.2 tp -43.23 -67.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -81.64 -155.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.2 tpt -165.94 142.09 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 52.38 -169.34 0.65 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 50.74 -162.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -173.42 -31.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -43.7 -47.96 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.528 ' H ' ' NE2' ' A' ' 580' ' ' GLN . 3.9 mp0 -57.67 -47.89 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.64 -53.55 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 12.7 m-20 -47.27 -38.98 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.477 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.88 -54.78 40.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 41.2 t -52.21 -62.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.9 mp -46.67 -49.3 19.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -44.53 -42.2 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -49.89 72.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 64.9 mt -46.08 -47.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -60.52 -30.86 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.45 -62.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 591' ' ' ILE . 23.7 mm -78.01 81.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 55.08 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 0.1 OUTLIER -163.67 76.82 1.71 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.18 -167.76 0.46 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.96 2.44 . . . . 0.0 111.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.502 ' C ' ' H ' ' A' ' 597' ' ' SER . 15.9 ptt? -47.39 -13.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 594' ' ' PRO . 5.6 m -48.39 -11.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 595' ' ' MET . 67.7 m -48.06 -42.77 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.73 -42.88 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.47 -48.71 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -45.95 -50.43 14.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.33 -50.42 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.32 -63.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.41 -18.52 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -75.51 -71.75 1.12 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 64.8 m -43.82 -37.74 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.9 t -78.87 127.75 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.514 ' N ' ' O ' ' B' ' 17' ' ' VAL . 23.3 ttp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.53 115.84 22.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 pt -117.97 154.57 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.75 142.24 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.632 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.48 105.63 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -88.4 127.18 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.51 ' C ' ' H ' ' B' ' 9' ' ' THR . 34.8 p -93.03 152.26 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.454 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.09 9.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.557 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.51 ' H ' ' C ' ' B' ' 7' ' ' THR . 23.8 p -98.55 -43.93 6.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.75 24.94 0.57 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -125.35 136.42 53.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -112.45 125.68 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mt -107.55 132.1 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.7 m -101.76 113.37 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.28 166.9 10.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -121.96 102.55 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' B' ' 1' ' ' MET . 8.5 m -127.18 -163.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.456 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.0 OUTLIER -140.46 178.12 1.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.097 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -75.19 -27.54 9.64 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.803 2.335 . . . . 0.0 112.142 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.79 18.28 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.739 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.39 136.94 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.433 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 3.6 p -85.86 144.78 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.51 -41.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.88 -43.62 77.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.433 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 7.5 m120 -62.37 -38.96 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.36 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.49 -54.56 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -50.32 -41.69 51.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.239 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.09 92.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.65 -38.13 77.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 mt -65.32 -42.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.306 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.78 -41.7 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.25 -28.62 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.364 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -75.6 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.49 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -97.59 -99.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.82 29.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.441 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 74.9 mt -101.0 101.9 17.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.655 0.264 . . . . 0.0 110.533 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.38 140.12 8.66 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -63.13 0.35 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.733 2.288 . . . . 0.0 112.056 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 15.2 t70 -37.97 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' B' ' 38' ' ' PRO . 14.1 mm100 -103.95 64.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -157.27 150.7 23.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.447 ' HE ' ' HB ' ' B' ' 70' ' ' VAL . 45.5 ttp180 -141.68 103.43 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.6 mt -97.37 129.71 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -135.36 145.25 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 87.3 t80 -130.78 170.28 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.557 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.87 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.49 -71.38 1.28 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -172.4 -156.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.39 130.03 35.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.17 127.27 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -76.64 159.01 30.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.97 64.47 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . -174.95 -57.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.7 mmt85 -47.13 176.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.447 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 33.0 p -115.41 167.3 10.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.75 -13.17 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.447 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 17.0 p -81.01 -28.46 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.44 -37.8 83.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -86.99 14.9 6.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 49.07 37.1 9.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.4 mt -82.7 107.39 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -84.34 -156.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.763 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -86.39 159.67 19.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 55.94 37.07 28.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.703 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.9 m -100.14 136.43 40.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -88.5 137.86 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -126.21 119.83 28.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -70.91 132.61 45.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.488 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 5.9 tt -124.06 119.63 30.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.447 ' HB ' ' HE ' ' B' ' 42' ' ' ARG . 3.3 t -124.28 153.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.603 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 22.0 mt -120.43 148.67 43.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.5 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 71' ' ' LEU . 72.6 mtp180 -44.87 172.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.28 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.579 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 3.5 mm? -41.26 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.469 ' NH2' ' CA ' ' C' ' 47' ' ' GLY . 45.9 ttt-85 61.24 136.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.31 156.77 21.89 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.792 0 CA-C-O 118.056 -1.413 . . . . 0.0 110.964 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.546 ' N ' ' O ' ' C' ' 17' ' ' VAL . 21.9 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.25 112.92 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 pt -115.62 148.42 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.642 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -102.18 148.21 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' C' ' 13' ' ' ILE . 77.4 t -124.83 95.41 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.171 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -83.43 130.5 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.925 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.601 ' HG1' ' N ' ' C' ' 11' ' ' LYS . 67.8 p -92.06 147.29 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' C' ' 7' ' ' THR . 87.9 mt -32.11 -49.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.612 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 23.8 p -157.52 22.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.408 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . 0.528 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -96.46 -106.01 2.26 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.601 ' N ' ' HG1' ' C' ' 7' ' ' THR . 27.0 mtpt -129.9 172.28 11.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 83.0 m -111.08 82.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.211 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -68.43 139.77 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 17.2 m -112.81 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -109.35 161.59 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.75 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -114.97 106.97 14.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.4 m -131.18 -162.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.781 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.43 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 2.2 mt-10 -140.27 176.45 2.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.076 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.39 -25.41 11.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.735 2.29 . . . . 0.0 112.213 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.59 -1.53 58.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.764 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.49 141.85 50.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -88.66 141.25 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.74 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.433 HG21 HD12 ' C' ' 23' ' ' ILE . 22.8 mm -45.89 -56.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.41 -42.16 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' C' ' 29' ' ' LYS . 8.5 t-20 -61.25 -46.66 89.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.122 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.0 -50.34 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.156 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -53.97 -32.95 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.19 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.97 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.281 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' C' ' 25' ' ' ASN . 51.3 mttp -57.07 -38.79 73.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.342 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 mt -65.12 -38.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -62.69 -39.55 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -69.59 -23.65 63.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -81.93 -60.37 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -89.56 -93.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.67 23.48 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.577 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 34.5 mt -96.1 101.73 9.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.698 0.285 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.96 140.92 6.62 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.697 2.265 . . . . 0.0 111.825 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.19 -36.55 17.01 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.796 2.331 . . . . 0.0 111.954 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -76.28 19.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.68 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' C' ' 38' ' ' PRO . 40.9 mm-40 -143.55 -1.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 86.2 mt-30 -98.26 145.99 26.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.61 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 8.7 ttt180 -143.99 101.18 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.4 113.93 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.65 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 mt -113.03 133.83 57.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.443 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -144.89 138.4 26.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.548 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.95 22.96 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.469 ' CA ' ' NH2' ' B' ' 74' ' ' ARG . . . 84.18 -7.39 71.74 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -100.57 128.18 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.526 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 24.0 tt0 -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.04 115.94 21.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . 0.411 ' H ' ' HH ' ' C' ' 59' ' ' TYR . 38.0 mt-10 -78.04 158.37 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.96 165.24 24.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.26 -31.73 4.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.35 178.56 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 62.4 p -122.42 165.05 16.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.25 -4.8 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.51 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 7.5 t -90.76 -21.3 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' C' ' 58' ' ' ASP . 1.7 m-20 -81.62 13.05 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.411 ' HH ' ' H ' ' C' ' 51' ' ' GLU . 81.2 m-85 -139.52 9.14 2.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.587 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 m120 56.37 23.26 7.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.7 mt -69.8 91.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.397 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.6 -160.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -80.61 156.13 26.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.679 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 62.45 33.48 16.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.764 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 38.6 m -90.25 132.04 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.469 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.99 108.68 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -97.39 119.7 36.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -77.29 103.69 7.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 tp -79.14 111.12 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.485 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -118.8 127.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.513 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' C' ' 71' ' ' LEU . 9.7 mp -73.54 165.11 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.545 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 24.0 t -66.52 -51.82 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -57.21 -35.66 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -58.2 -59.46 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.02 -31.3 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 7.5 tp -54.83 -70.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.31 -36.26 57.19 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 7.2 tp -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.402 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.28 96.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.9 mm -77.12 -8.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.77 -70.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 48.9 p90 -81.27 25.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -51.04 -64.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.01 83.86 0.85 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 28.2 t -155.4 -62.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm 54.8 75.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 44.2 t30 -119.14 -176.07 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.522 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.1 p30 -88.5 -2.65 58.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -88.75 -53.31 4.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.406 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.4 t -40.67 -43.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 508' ' ' LEU . 39.3 mt -77.64 -48.6 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.548 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.25 -6.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.579 ' H ' ' C ' ' A' ' 506' ' ' LEU . 4.2 tp -118.0 -55.87 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -39.76 95.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.538 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.5 tp -56.85 -62.1 5.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.82 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.575 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.97 -62.49 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.383 2.055 . . . . 0.0 111.591 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 83.1 mt -44.76 -25.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.31 -46.01 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -148.47 54.46 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.0 OUTLIER -79.69 14.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.488 ' HG1' ' NH1' ' C' ' 42' ' ' ARG . 68.8 p 51.32 57.18 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.595 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 518' ' ' LEU . 55.6 t0 -166.38 -111.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.632 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 519' ' ' PRO . 0.3 OUTLIER -35.86 154.3 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.77 -175.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.894 2.396 . . . . 0.0 112.021 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.8 pt -119.95 24.1 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.71 -62.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.9 m -68.66 -23.31 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.09 3.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -69.72 -57.82 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.1 mtt -57.98 -46.32 85.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.47 -49.01 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.8 m -64.4 -19.68 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.8 tt -70.88 -66.75 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -55.01 -30.41 59.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.406 ' C ' ' CD2' ' A' ' 530' ' ' LEU . 2.3 tt -61.65 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.47 -28.93 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.22 -58.31 7.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.31 -45.32 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.94 23.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 531' ' ' ALA . 10.4 p -61.78 -36.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -64.18 -100.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.2 t -59.01 -168.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.599 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.505 ' N ' ' OG1' ' A' ' 537' ' ' THR . 84.4 m -148.39 179.43 7.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -156.65 175.73 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -93.52 -52.88 1.92 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -41.58 -59.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.09 -51.37 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 544' ' ' THR . 7.4 m -62.85 -72.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 543' ' ' THR . 45.7 p -22.44 -56.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.821 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 p -59.83 -56.92 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -51.07 -51.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.41 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.3 tpt -55.45 -44.33 76.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -56.93 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 553' ' ' ARG . 6.9 m120 -54.3 -55.64 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -41.71 -38.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.98 -73.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.603 ' CD ' HH22 ' B' ' 42' ' ' ARG . 59.5 mm-40 -47.34 -54.7 10.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.728 ' O ' ' N ' ' A' ' 555' ' ' ALA . 8.4 mmt-85 85.48 -73.63 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 1 N-CA-C 99.944 -4.095 . . . . 0.0 99.944 165.803 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.735 ' O ' ' N ' ' A' ' 556' ' ' ILE . 93.9 m 15.03 -72.3 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.204 -1.56 . . . . 0.0 109.705 168.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -24.31 -30.56 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.878 -0.729 . . . . 0.0 111.185 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -9.41 -40.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 165.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 555' ' ' ALA . 19.0 mm-40 6.45 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.74 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.725 ' N ' ' O ' ' A' ' 556' ' ' ILE . 1.3 tt -130.22 105.84 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -76.05 -115.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.439 ' CG2' ' H ' ' A' ' 561' ' ' ASP . 1.1 m 60.73 -143.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.439 ' H ' ' CG2' ' A' ' 560' ' ' THR . 30.6 t0 -59.76 92.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -173.52 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.47 -30.56 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 67.3 ttt-85 -73.95 -71.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -45.43 -55.35 6.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 55.0 tp -46.34 -49.9 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.11 -55.05 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.17 -44.51 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.19 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.39 -22.48 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -78.39 -69.89 1.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.39 -23.76 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.9 tp -45.33 -60.14 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.32 -177.91 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.599 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 39.1 mtm -114.15 -84.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -174.23 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -46.07 169.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.316 . . . . 0.0 110.595 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.737 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 77.69 32.51 45.74 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 578' ' ' GLY . 25.1 pt-20 34.21 25.03 0.0 OUTLIER 'General case' 0 C--O 1.194 -1.828 0 O-C-N 122.03 -0.688 . . . . 0.0 110.998 172.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.737 ' N ' ' O ' ' A' ' 578' ' ' GLY . 57.8 mt-30 -60.44 -62.15 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 126.033 2.083 . . . . 0.0 110.567 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.69 -39.71 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.528 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -51.0 -40.62 58.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.532 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 10.3 t70 -69.25 -69.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 59.3 t -45.85 -55.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.7 tp -47.06 -38.65 11.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.43 -46.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.549 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.6 m -55.9 -57.75 10.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 75.6 mt -43.01 -40.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 25.1 p -72.6 -31.84 65.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.66 -48.79 58.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.421 ' N ' ' CD1' ' A' ' 591' ' ' ILE . 1.7 mp -89.99 151.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.282 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -38.37 148.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 7.4 p80 -138.61 75.45 37.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.41 -71.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.908 2.405 . . . . 0.0 111.919 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -94.45 -14.78 24.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.57 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 22.2 m -76.24 -21.37 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.7 t -46.36 -25.45 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.44 -42.43 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 83.2 mt -71.96 -22.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.1 -45.94 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.61 -39.97 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 tp -60.4 -73.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -47.41 -27.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.38 -34.55 32.05 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.1 m -59.35 -49.38 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.581 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 15.9 t -86.31 118.98 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.493 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.33 109.54 21.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.629 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -102.01 151.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.699 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.467 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 91.5 m-85 -105.68 149.64 26.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.642 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.82 106.87 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.92 139.8 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -119.41 143.2 47.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.62 -12.38 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -84.03 13.4 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.8 69.73 1.25 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -169.48 131.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.658 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -108.45 128.28 54.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.463 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.89 129.91 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.467 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 3.0 m -106.96 119.26 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.359 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -124.73 141.37 52.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.3 115.38 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.9 m -136.76 170.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.705 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.577 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 26.9 mm-40 -125.4 150.3 67.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.67 -22.34 1.13 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.888 2.392 . . . . 0.0 112.228 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -85.78 -21.54 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.8 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.9 m-20 -50.98 138.88 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.477 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.5 p -95.57 137.29 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' B' ' 22' ' ' THR . 33.9 mm -39.43 -50.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -51.76 -39.56 58.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.338 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 22' ' ' THR . 12.7 t30 -62.87 -45.68 91.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.317 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 t -58.73 -44.19 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -57.01 -42.44 80.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.273 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.33 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.76 -42.61 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.47 -36.16 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.431 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -63.52 -41.38 98.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.1 -26.96 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -79.64 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -85.62 -90.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.82 14.5 0.03 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.469 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 59.7 mt -85.06 110.25 27.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.709 0.29 . . . . 0.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.68 137.26 12.16 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.697 2.265 . . . . 0.0 111.922 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.603 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.69 -41.97 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.802 2.335 . . . . 0.0 111.959 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' B' ' 39' ' ' ASP . 1.4 m-20 -69.69 26.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' B' ' 38' ' ' PRO . 20.3 mt-30 -155.4 53.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.547 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -148.22 146.24 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.603 HH22 ' CD ' ' A' ' 552' ' ' GLU . 14.1 mtp180 -138.66 99.72 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.5 127.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.441 HG21 HD12 ' B' ' 44' ' ' ILE . 33.7 mt -124.76 153.99 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 52.8 t80 -139.05 170.0 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.29 -27.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.07 -88.89 0.73 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -146.93 -146.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -90.87 139.11 31.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.48 131.13 35.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -96.47 159.11 15.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.14 25.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.34 -62.93 4.55 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -43.16 161.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.473 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 27.9 p -110.53 164.97 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.39 -10.88 27.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.53 ' C ' ' H ' ' B' ' 59' ' ' TYR . 79.4 p -82.28 -32.14 29.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.559 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.84 19.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.53 ' H ' ' C ' ' B' ' 57' ' ' SER . 72.3 m-85 -141.15 -2.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 t30 67.33 20.86 9.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.39 113.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -89.69 -157.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.71 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -88.63 159.76 17.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 52.47 31.69 10.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.587 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.9 m -92.42 140.04 29.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -82.47 144.43 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.52 112.51 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.532 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 38.1 m80 -66.86 153.21 44.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.305 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 tp -142.47 118.71 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.732 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 t -117.16 152.17 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -115.77 134.04 55.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' B' ' 74' ' ' ARG . 39.2 ttp180 -45.25 169.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.639 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 3.1 mm? -47.43 92.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' B' ' 72' ' ' ARG . 48.1 ttt-85 -86.8 158.09 19.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.59 -155.4 25.07 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 117.994 -1.448 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.53 ' N ' ' O ' ' C' ' 17' ' ' VAL . 20.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -75.12 112.25 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.09 145.53 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -100.66 130.96 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.8 t -113.13 97.76 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.3 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -82.71 120.65 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.662 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.447 ' O ' ' N ' ' C' ' 9' ' ' THR . 72.6 p -75.75 170.16 16.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.116 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.626 ' O ' ' OG1' ' C' ' 9' ' ' THR . 9.5 tp -67.76 63.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.235 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' C' ' 8' ' ' LEU . 1.7 p 64.76 72.39 0.44 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -170.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.01 -43.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' C' ' 12' ' ' THR . 30.4 tttm 179.47 158.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 110.705 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 8.7 m -113.8 104.84 12.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.68 135.36 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.7 m -104.2 101.47 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 -176.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' C' ' 15' ' ' LEU . 3.7 mm? -96.12 130.22 43.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -90.8 88.8 7.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.152 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.5 m -113.52 -161.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 18.2 mt-10 -148.2 152.85 40.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.275 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -46.82 13.48 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.899 2.399 . . . . 0.0 112.287 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.472 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.29 -47.26 86.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.879 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 2.0 m-20 -33.65 143.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -96.54 149.05 22.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.407 HD12 HG22 ' C' ' 23' ' ' ILE . 23.4 mm -45.91 -55.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -44.42 -47.99 9.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -48.75 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.87 -52.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.228 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -51.5 -31.23 23.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.31 70.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.41 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.25 -34.88 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.29 -42.12 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.0 -34.4 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.488 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' C' ' 32' ' ' ASP . 21.0 t0 -73.62 -33.07 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -74.07 -64.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -83.63 -100.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.51 10.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -81.27 124.55 80.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.65 0.262 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.06 140.48 31.34 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.6 2.2 . . . . 0.0 112.032 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.646 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.5 -50.56 10.2 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.018 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -57.35 3.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.646 ' H ' ' C ' ' C' ' 38' ' ' PRO . 5.2 mt-30 -139.02 43.44 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -132.91 158.31 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.488 ' NH1' ' HG1' ' A' ' 516' ' ' THR . 20.5 ttt180 -152.17 97.67 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -80.62 104.25 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 23.1 mt -108.3 121.3 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.575 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 73.4 t80 -115.64 176.62 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.69 -51.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -88.67 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.451 ' HZ2' ' NE ' ' B' ' 74' ' ' ARG . 38.7 mttm -146.53 -149.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.42 141.34 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.48 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.4 mt -88.44 115.47 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -75.42 158.42 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.08 158.26 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.07 -59.36 3.89 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -48.24 166.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.704 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.1 p -106.78 165.1 11.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.613 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.34 -19.35 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.551 ' C ' ' H ' ' C' ' 59' ' ' TYR . 92.0 p -75.39 -29.22 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . 0.492 ' O ' ' CD2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -73.29 28.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.551 ' H ' ' C ' ' C' ' 57' ' ' SER . 83.1 m-85 -156.16 5.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . 0.545 ' N ' HD21 ' C' ' 60' ' ' ASN . 0.6 OUTLIER 58.35 32.69 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.675 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -81.15 91.54 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -77.32 -157.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -81.85 159.62 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 57.8 31.07 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.66 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -83.11 131.79 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.84 102.67 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.88 121.6 37.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -79.5 102.33 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.37 101.35 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.5 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -104.27 153.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -93.97 156.51 16.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 487' ' ' SER . 56.6 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.763 0.316 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' SER . . . . . 0.409 ' N ' ' OG ' ' A' ' 486' ' ' SER . 26.8 m -45.89 -33.83 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.81 43.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.72 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.449 HG21 HD13 ' A' ' 490' ' ' ILE . 10.3 mm -62.8 -47.37 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.9 tt -47.34 -69.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.54 -59.74 7.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.555 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 5.0 tp -45.18 -37.28 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.528 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -60.19 -67.03 2.34 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 24.6 pt -63.31 1.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 0.0 110.673 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -82.91 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.608 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 39.9 p90 -81.76 20.09 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -37.53 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.692 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.08 120.51 6.23 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 45.0 p -169.8 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 501' ' ' LYS . 11.8 mptt 48.01 79.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -143.83 157.49 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.15 7.14 22.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 41.0 tt0 -95.81 -55.44 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.351 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.6 t -43.2 -39.13 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.6 ' C ' ' H ' ' A' ' 508' ' ' LEU . 9.7 mp -85.08 -47.89 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -47.01 -8.25 0.02 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.6 ' H ' ' C ' ' A' ' 506' ' ' LEU . 32.6 mt -123.3 -58.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.54 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.564 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 17.8 tp -63.72 -61.86 6.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.772 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.564 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.04 -53.27 6.53 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.402 2.068 . . . . 0.0 111.465 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.403 HG21 HD12 ' A' ' 512' ' ' ILE . 96.7 mt -47.91 -36.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.289 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.69 -33.66 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.295 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' B' ' 73' ' ' LEU . . . -168.33 78.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.572 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.478 ' HG ' ' CD1' ' A' ' 518' ' ' LEU . 59.8 p -93.01 35.27 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.412 . . . . 0.0 110.089 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.1 OUTLIER 66.73 7.13 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.259 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' O ' ' A' ' 518' ' ' LEU . 3.5 m-20 -159.47 -152.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.456 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.532 ' O ' ' O ' ' A' ' 519' ' ' PRO . 28.2 mt 59.01 143.78 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.686 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.532 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -47.12 -167.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.857 2.371 . . . . 0.0 112.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 17.3 pt -133.09 35.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.618 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -92.79 -80.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 t -71.43 -29.59 65.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.75 -51.82 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.42 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.522 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.4 mmt -50.03 -38.05 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.544 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.41 90.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.534 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.9 t -59.97 -30.91 69.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.48 -24.03 60.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.33 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.55 -33.98 70.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.533 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.32 -60.63 2.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -50.8 -44.6 58.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.549 ' C ' ' H ' ' A' ' 535' ' ' VAL . 76.6 t -67.75 -70.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.577 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.39 25.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.549 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -46.14 -27.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -91.04 -102.39 1.26 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.61 110.44 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.63 -158.85 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -158.85 177.23 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -80.78 -49.99 5.45 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -44.05 -62.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 73.4 mt -48.19 -44.97 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 546' ' ' ILE . 92.7 m -67.34 -75.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 543' ' ' THR . 73.2 p -20.93 -56.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 543' ' ' THR . 26.9 p -60.58 -53.25 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -58.2 -54.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.173 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 11.7 tpt -52.69 -37.16 58.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.402 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.7 OUTLIER -64.59 -51.79 60.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.4 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -48.67 -36.6 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.293 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -66.89 -58.76 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.524 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 7.9 mp -72.26 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.706 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 553' ' ' ARG . 27.9 tp10 -39.78 -42.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 552' ' ' GLU . 6.9 mmm-85 30.07 92.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.867 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -163.84 -27.01 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.034 0 CA-C-O 124.793 2.235 . . . . 0.0 115.652 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.655 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.25 1.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 111.652 -2.522 . . . . 0.0 109.016 171.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.867 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.8 OUTLIER -46.21 -4.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.401 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.655 ' H ' ' C ' ' A' ' 555' ' ' ALA . 4.8 mp0 -20.41 -46.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.731 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.648 ' N ' ' O ' ' A' ' 556' ' ' ILE . 68.2 mt -114.99 -148.92 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.506 ' O ' ' OG1' ' A' ' 560' ' ' THR . 84.4 mttt -157.05 -96.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.703 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 52.47 -100.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.53 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -171.19 143.57 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -179.15 -11.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.24 -33.78 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.52 -71.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -50.13 -37.57 34.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.76 -39.22 87.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -61.04 -56.2 23.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.0 mt -47.22 -54.27 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.36 -64.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 48.9 tp -45.1 -24.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 573' ' ' LEU . . . -83.19 -77.72 1.09 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.4 tt -52.01 -13.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 571' ' ' GLY . 17.2 tp -44.74 -70.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -70.11 -156.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 3.1 ptm -157.71 -0.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 82.92 133.48 2.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -162.39 -37.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.314 . . . . 0.0 110.54 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.738 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . -166.66 91.23 0.1 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.309 1.684 . . . . 0.0 117.309 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 578' ' ' GLY . 34.7 mt-10 26.89 30.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.188 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 578' ' ' GLY . 44.4 tt0 -58.76 -45.57 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.86 -38.96 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.8 OUTLIER -53.38 -49.37 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.571 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.451 ' OD2' ' NZ ' ' B' ' 6' ' ' LYS . 37.8 t70 -63.27 -67.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 84.4 t -41.86 -53.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 37.0 tp -51.27 -35.84 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 583' ' ' ASP . 7.2 tt0 -59.63 -35.86 75.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.464 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.9 m -71.37 -51.61 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -46.83 -27.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 m -92.38 -19.01 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.33 -18.91 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 592' ' ' GLU . 3.8 tp -97.94 152.32 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 591' ' ' ILE . 7.6 mm-40 -60.23 -140.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.531 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 10.4 m170 50.03 48.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.36 -15.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.012 2.474 . . . . 0.0 111.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 593' ' ' HIS . 11.4 mmt -59.05 -9.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 594' ' ' PRO . 11.4 t -79.08 -3.77 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 67.5 m -45.66 -46.32 14.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.83 -40.87 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 15.6 mt -78.58 -28.54 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.22 -39.48 92.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.46 -37.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.91 -66.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.09 -37.44 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.61 -31.27 77.21 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 26.6 t -78.48 -58.14 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 39.3 t -79.91 119.5 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -92.8 111.3 22.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -104.12 151.42 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.22 143.13 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 92.1 t -123.21 102.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.451 ' NZ ' ' OD2' ' A' ' 583' ' ' ASP . 26.1 ttpt -85.54 139.61 31.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.534 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.9 p -113.9 155.01 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.9 7.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.534 ' H ' ' C ' ' B' ' 7' ' ' THR . 70.0 p -101.93 -5.51 24.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 4.33 68.66 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -97.97 134.16 41.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -114.4 132.55 56.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.487 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mt -117.76 131.36 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -106.53 123.86 48.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.431 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -130.36 146.16 51.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.87 0.367 . . . . 0.0 110.79 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.87 125.06 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.44 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -147.05 167.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.771 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.608 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.3 mt-10 -125.11 148.67 61.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.355 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.62 -19.46 0.46 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.816 2.344 . . . . 0.0 112.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.3 9.19 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.75 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.608 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.7 m-20 -91.18 142.97 27.17 Favored 'General case' 0 N--CA 1.505 2.282 1 N-CA-C 97.492 -5.003 . . . . 0.0 97.492 -163.182 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 33.3 p -92.42 142.19 27.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.451 HD12 HG21 ' B' ' 23' ' ' ILE . 33.7 mm -45.27 -46.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -53.4 -40.27 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -61.98 -46.72 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.179 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.45 -51.0 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.256 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -52.09 -36.16 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.207 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.06 91.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -61.15 -35.8 78.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.372 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -70.67 -34.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.487 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -67.31 -32.8 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -78.76 -23.21 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -83.97 -58.31 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -89.06 -86.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 5.52 0.05 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 58.3 mt -78.59 132.26 65.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.301 . . . . 0.0 110.483 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.37 139.69 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.688 2.259 . . . . 0.0 111.864 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.604 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.56 -47.93 14.69 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.774 2.316 . . . . 0.0 112.058 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 3.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.604 ' H ' ' C ' ' B' ' 38' ' ' PRO . 16.6 mm100 -139.69 62.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -155.84 137.78 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 ttp-105 -127.0 105.55 8.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.399 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.44 127.46 43.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -128.15 146.33 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.426 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 71.1 t80 -132.24 177.35 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.36 -37.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.23 -90.72 0.16 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -147.66 -144.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -89.65 133.86 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.56 135.21 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -99.38 159.23 15.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.97 147.44 51.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 98.62 -65.63 0.73 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.2 mmm180 -41.05 166.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.761 0.315 . . . . 0.0 110.684 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.2 p -110.04 171.13 7.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.05 -23.21 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -76.14 -20.3 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -80.61 9.19 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -138.13 15.24 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m120 55.02 25.9 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.702 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -76.56 97.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.47 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -78.74 -157.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -84.81 157.47 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.09 31.49 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -88.34 132.83 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.08 127.3 35.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.97 120.78 40.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.421 ' NE2' ' OD2' ' A' ' 583' ' ' ASP . 46.5 m80 -72.93 139.09 46.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.484 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.465 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 6.4 tt -121.74 127.33 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.457 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.433 ' N ' HD23 ' B' ' 69' ' ' LEU . 18.9 t -130.41 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.482 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 3.5 mp -124.84 153.6 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 71' ' ' LEU . 36.3 mtp180 -47.16 177.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.503 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.554 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 3.6 mm? -50.38 103.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.484 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -70.25 114.06 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.531 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.65 39.45 3.12 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.059 -1.412 . . . . 0.0 110.934 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.547 ' N ' ' O ' ' C' ' 17' ' ' VAL . 23.5 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -95.02 113.17 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -114.52 144.91 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -96.5 146.71 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' C' ' 13' ' ' ILE . 79.2 t -128.58 94.41 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 83.1 mttt -81.92 120.84 25.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.53 ' OG1' ' CA ' ' C' ' 10' ' ' GLY . 64.4 p -77.55 148.47 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' C' ' 7' ' ' THR . 1.1 mt -32.73 -49.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.447 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 24.2 p -158.59 34.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.386 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . 0.53 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -112.26 -109.19 3.0 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.498 ' N ' ' OG1' ' C' ' 7' ' ' THR . 23.3 mtpt -123.56 171.6 9.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 0.0 110.914 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -108.87 86.52 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -72.62 141.77 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 28.2 m -114.9 109.26 17.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' C' ' 15' ' ' LEU . 3.6 mm? -97.96 133.48 42.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -91.44 88.51 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.219 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' C' ' 1' ' ' MET . 15.1 m -111.88 -162.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.04 177.6 2.0 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.993 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.14 -25.54 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.775 2.317 . . . . 0.0 112.328 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -0.89 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.21 141.82 45.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.675 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -90.33 147.23 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.437 HG22 HD12 ' C' ' 23' ' ' ILE . 23.7 mm -49.58 -46.34 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -51.89 -46.84 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.38 -38.98 81.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.96 -52.17 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -51.73 -41.47 61.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.358 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.339 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -55.63 -36.91 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.78 -45.61 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.331 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -55.93 -40.51 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.47 78.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.373 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -71.16 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -84.86 -88.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.26 5.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -80.38 130.63 64.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.0 110.515 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.56 143.26 34.02 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.619 2.213 . . . . 0.0 111.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.21 -63.83 0.3 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.856 2.37 . . . . 0.0 112.005 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -40.75 -21.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.653 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' C' ' 38' ' ' PRO . 29.3 mt-30 -113.8 56.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -151.32 134.72 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -128.75 100.63 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.451 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -81.79 110.8 17.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.598 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.88 133.97 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -138.69 133.08 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.13 34.71 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.45 49.23 39.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -157.92 120.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.34 129.15 37.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.56 125.93 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -69.14 158.22 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.08 103.66 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.522 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.1 -56.53 0.47 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 32.7 mmt-85 -49.46 175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.532 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.475 ' C ' ' H ' ' C' ' 57' ' ' SER . 31.0 p -115.87 161.59 18.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 68.8 mt -65.84 3.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.475 ' H ' ' C ' ' C' ' 55' ' ' THR . 6.5 t -96.38 -26.42 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.83 -39.77 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.02 10.34 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 54.73 29.22 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.44 98.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -82.58 -165.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -74.25 158.97 33.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 59.68 30.29 19.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.739 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -84.84 129.93 34.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.6 m -88.1 115.12 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.712 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.05 118.17 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -79.56 102.92 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.556 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.27 102.19 11.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.19 140.51 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.629 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.13 161.25 17.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.693 0.282 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 30.4 t -54.53 -51.81 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -69.13 -19.5 64.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.48 -60.95 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.414 HG23 HD13 ' A' ' 490' ' ' ILE . 9.2 mm -62.35 -35.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . 0.417 ' C ' ' CD2' ' A' ' 491' ' ' LEU . 2.7 tt -54.27 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.13 -63.02 4.92 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.54 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 4.3 tp -43.67 -43.33 5.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.629 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.49 -49.34 65.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.5 pt -86.8 7.79 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.76 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -86.28 -56.87 3.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.54 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 43.2 p90 -87.92 21.55 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.32 -62.59 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -97.77 66.92 0.8 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 97.0 p -172.33 98.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.541 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -85.61 57.45 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.542 ' C ' ' H ' ' A' ' 504' ' ' GLU . 21.8 m120 -72.91 124.29 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.18 -3.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.542 ' H ' ' C ' ' A' ' 502' ' ' ASN . 47.8 mt-10 -88.87 -56.76 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 41.6 t -41.86 -34.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.374 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.619 ' C ' ' H ' ' A' ' 508' ' ' LEU . 9.0 tp -81.45 -51.23 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.478 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -57.06 2.29 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.619 ' H ' ' C ' ' A' ' 506' ' ' LEU . 69.1 mt -121.23 -52.02 2.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.08 -42.06 89.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.51 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 11.5 tp -56.99 -62.37 5.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.774 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.59 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -45.79 -50.37 9.68 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.534 2.156 . . . . 0.0 111.753 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.51 -23.1 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -79.69 -33.61 40.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -155.69 56.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.2 OUTLIER -68.47 -10.2 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 515' ' ' SER . 0.2 OUTLIER 80.45 54.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.742 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.464 ' OD1' ' OG ' ' A' ' 515' ' ' SER . 0.4 OUTLIER 173.85 -82.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 1.2 pt? -41.78 165.86 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.628 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.98 145.28 28.04 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.869 2.379 . . . . 0.0 111.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 555' ' ' ALA . 17.2 pt -91.01 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.597 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -74.4 -38.16 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -17.93 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.41 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.32 76.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' MET . . . . . 0.534 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.5 mpt? -68.45 -47.72 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.04 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 61.8 p -48.68 -34.03 11.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.65 -66.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.504 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.97 -51.57 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.3 tt -44.59 -51.34 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.21 -34.37 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -51.94 -40.94 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 535' ' ' VAL . 95.0 t -77.62 -48.7 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 537' ' ' THR . 30.9 m-85 -78.79 16.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.412 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -49.09 -40.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.47 -81.77 0.29 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 10.1 t -72.15 -168.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.425 ' N ' ' OG1' ' A' ' 537' ' ' THR . 22.9 p -160.21 -178.59 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -154.62 173.24 16.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -89.81 -52.49 2.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.67 -33.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 543' ' ' THR . 79.8 mt -72.94 -81.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 542' ' ' ILE . 18.2 m -38.75 -44.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 40.6 p -52.15 -58.03 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.6 p -59.45 -54.8 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.243 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -35.07 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.144 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.3 tpt -77.89 -37.82 47.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.297 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' B' ' 72' ' ' ARG . 62.0 m-20 -50.7 -28.61 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.194 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.63 ' O ' ' N ' ' A' ' 553' ' ' ARG . 17.1 m-20 -87.35 -58.12 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.471 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -43.58 -19.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 549' ' ' ASN . 27.7 mt -98.76 -81.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.481 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 554' ' ' THR . 5.2 mt-10 -64.05 -7.47 8.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.72 ' O ' ' C ' ' A' ' 554' ' ' THR . 17.6 mmt180 53.95 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.734 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.4 OUTLIER 35.54 -121.11 0.13 Allowed 'General case' 0 CA--C 1.555 1.143 1 N-CA-C 98.313 -4.699 . . . . 0.0 98.313 -179.547 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.716 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 5.5 63.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.651 -167.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.734 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -115.13 11.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.609 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -71.63 18.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' A' ' 556' ' ' ILE . 1.1 pt? -69.92 -176.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -147.77 1.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 1.8 t -161.58 178.78 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.441 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.1 m-20 -51.13 159.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -174.78 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -52.37 -22.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -61.86 -71.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -56.52 -45.41 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 23.7 tp -46.64 -43.07 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.451 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.61 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 38.8 tp -45.78 -38.76 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -64.71 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.41 -17.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -86.23 -77.82 1.22 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 10.2 tp -50.91 -23.24 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.54 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -40.13 -61.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.674 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -83.88 117.42 23.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -46.6 164.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -51.57 144.12 16.31 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 576' ' ' GLY . 44.1 tt0 59.76 127.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.572 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 155.39 104.17 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.21 -10.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.512 ' H ' ' C ' ' A' ' 578' ' ' GLY . 11.5 tp60 -47.43 -35.37 8.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.05 -40.88 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.07 -31.62 69.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.546 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 40.9 t0 -72.45 -73.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.619 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 34.4 t -43.11 -46.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.65 -38.31 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.418 ' O ' ' OG ' ' A' ' 589' ' ' SER . 35.1 tp10 -57.96 -48.37 80.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 5.0 m -52.85 -56.44 15.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -44.87 -35.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 586' ' ' GLU . 58.2 p -85.66 -19.37 31.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.06 -36.11 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.4 tt -89.31 163.65 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -61.83 -137.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 50.3 m80 49.71 73.63 0.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 -24.12 12.21 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.002 2.468 . . . . 0.0 111.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.463 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.8 tpt -49.33 -38.62 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 43.6 p -60.78 -4.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.3 t -44.44 -30.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.53 90.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 17.8 mt -77.05 -36.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.554 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.12 -37.1 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -78.89 -47.28 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.92 -54.53 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.0 -57.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.98 -26.89 2.23 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -78.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.557 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 23.9 p -82.93 126.99 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.616 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -125.53 109.22 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -104.46 159.16 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.746 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.545 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 21.9 m-85 -116.1 159.02 22.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.4 t -136.21 109.59 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -90.85 127.85 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.413 ' C ' ' H ' ' B' ' 9' ' ' THR . 3.0 p -105.13 146.14 29.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.58 -6.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.413 ' H ' ' C ' ' B' ' 7' ' ' THR . 2.7 p -90.37 24.36 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.67 76.02 0.22 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -173.76 156.45 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -135.46 131.49 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.493 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -114.06 127.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.545 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 10.7 m -101.84 118.76 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -126.55 148.05 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.723 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' B' ' 16' ' ' GLU . 23.9 mp0 -92.28 124.35 36.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.616 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.9 m -147.5 169.68 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.599 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 20.8 mt-10 -124.92 152.54 70.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.252 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.47 ' O ' ' OG ' ' B' ' 57' ' ' SER . 2.9 Cg_endo -44.99 -31.36 5.38 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.079 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -28.57 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.599 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.4 m-20 -45.22 135.62 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.73 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p -92.62 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.503 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -42.83 -46.32 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -53.93 -42.17 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -47.15 87.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.26 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.36 -53.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.265 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' B' ' 41' ' ' GLN . 50.2 mttm -50.58 -35.48 30.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.24 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.7 87.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.222 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -34.23 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.61 -35.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.465 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -71.46 -31.16 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -76.57 -64.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.5 -88.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.04 4.69 0.04 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 47.3 mt -80.07 134.49 56.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 0.0 110.513 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.96 144.24 34.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.647 2.231 . . . . 0.0 111.983 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.663 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.47 -50.96 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.865 2.377 . . . . 0.0 112.041 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 22.0 m-20 -65.63 28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.663 ' H ' ' C ' ' B' ' 38' ' ' PRO . 51.2 mt-30 -158.01 49.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.508 ' O ' ' NZ ' ' B' ' 27' ' ' LYS . 72.8 mt-30 -147.14 137.18 23.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -122.85 104.65 9.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.459 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 mt -100.34 131.64 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' B' ' 45' ' ' PHE . 82.6 mt -132.68 161.7 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.462 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 63.4 t80 -154.14 175.25 13.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.624 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.81 -38.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.92 -90.95 0.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -149.28 -142.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -94.3 138.72 31.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.09 109.31 19.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.621 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.84 158.7 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.527 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.62 146.62 54.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 97.27 -67.51 0.84 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' B' ' 53' ' ' GLY . 18.6 mmt180 -41.34 165.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.635 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.8 p -109.95 164.51 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.27 -28.08 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.7 m -69.78 -39.42 76.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.6 -39.3 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -90.61 11.67 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 m120 55.5 28.11 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.5 mt -72.74 114.14 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -86.17 -161.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -87.62 160.54 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.718 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 55.93 30.56 16.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -82.77 129.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -88.07 92.02 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.685 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.51 170.56 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.438 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.546 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 61.7 m80 -129.01 110.25 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.301 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -93.07 146.77 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.775 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.8 t -148.57 144.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.78 144.73 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.436 ' C ' ' OD2' ' A' ' 548' ' ' ASP . 24.6 ptt85 -61.14 -169.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.638 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 2.2 mm? -63.15 153.58 33.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -150.05 -131.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.2 82.59 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.936 -1.48 . . . . 0.0 110.958 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.534 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.1 ttp . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.5 111.87 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.39 148.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -101.92 150.72 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' C' ' 13' ' ' ILE . 85.3 t -131.23 91.47 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -76.51 115.86 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.729 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 69.6 p -72.86 142.11 47.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.181 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.464 ' O ' ' CG2' ' C' ' 9' ' ' THR . 16.4 tp -37.02 -48.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.472 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 19.4 p -160.69 71.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.387 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . 0.525 ' CA ' ' HG1' ' C' ' 7' ' ' THR . . . -156.4 -81.21 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.715 ' HG2' ' N ' ' C' ' 12' ' ' THR . 18.6 tttp -153.59 165.08 37.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.701 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' THR . . . . . 0.715 ' N ' ' HG2' ' C' ' 11' ' ' LYS . 14.0 m -104.24 96.36 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' C' ' 5' ' ' VAL . 1.4 mt -78.26 148.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -123.71 128.22 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.278 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -128.9 139.24 52.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.891 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.65 96.92 10.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.307 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' C' ' 1' ' ' MET . 11.0 m -113.09 -166.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -131.97 173.83 5.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.74 -20.61 15.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.795 2.33 . . . . 0.0 112.343 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -93.61 -11.81 30.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.786 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.64 137.44 56.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.486 ' HG1' ' CG ' ' C' ' 25' ' ' ASN . 2.7 p -86.86 156.06 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -57.03 -51.25 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -52.25 -38.75 59.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.486 ' CG ' ' HG1' ' C' ' 22' ' ' THR . 3.9 m-20 -63.46 -41.94 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.19 -48.12 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.154 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -53.21 -42.57 66.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.123 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.86 95.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.239 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -58.04 -37.17 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 mt -67.69 -42.67 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.408 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.55 -33.85 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.3 -30.53 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -74.64 -60.53 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -90.8 -106.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.53 11.58 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.446 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 67.2 mt -83.27 128.69 63.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.635 0.255 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.2 143.35 35.46 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.59 2.193 . . . . 0.0 111.869 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.617 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -47.17 15.38 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.815 2.343 . . . . 0.0 112.009 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.89 28.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.674 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.617 ' H ' ' C ' ' C' ' 38' ' ' PRO . 20.6 mt-30 -156.46 44.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.512 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -145.32 158.03 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -149.37 99.8 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.56 107.01 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.603 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mt -107.49 141.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.417 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -152.05 128.0 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.66 28.37 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.38 24.47 63.2 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -130.32 117.42 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 110.579 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -80.6 135.1 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.98 130.65 35.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -84.72 157.73 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.04 100.45 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 150.11 -64.92 0.39 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.6 mmt-85 -43.62 170.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.523 ' C ' ' H ' ' C' ' 57' ' ' SER . 53.5 p -115.58 162.71 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.27 3.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.523 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.97 -38.2 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -62.04 -39.02 90.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -82.3 6.01 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 54.9 36.06 25.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . 0.419 HD12 HG21 ' C' ' 61' ' ' ILE . 59.7 mt -80.87 99.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -77.17 -157.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.774 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -87.31 162.18 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 55.39 33.26 20.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.663 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -84.94 167.89 15.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.418 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -123.05 106.87 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.616 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.55 118.63 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.523 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -78.4 97.67 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.73 108.97 13.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.77 141.95 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.591 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -89.41 161.76 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.855 0.36 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.5 p -57.56 -50.21 73.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.89 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -53.85 -68.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 490' ' ' ILE . 10.1 mm -54.22 -30.9 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.37 -62.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.47 -59.64 6.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.5 mp -58.68 -27.43 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.66 -61.3 7.64 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.77 -22.5 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.614 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.38 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 34.9 m-85 -47.62 -42.85 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.505 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 12.46 36.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.5 t -145.97 -70.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.8 tttp 48.6 67.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.668 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -131.54 170.54 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.42 -4.65 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.54 -39.44 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.111 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 26.7 t -49.28 -63.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.24 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.01 -41.65 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -38.75 -35.78 0.39 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 10.4 mp -109.7 -40.6 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.21 -51.53 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.591 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.2 tp -44.33 -65.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.891 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.591 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.23 -61.15 0.65 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.321 2.014 . . . . 0.0 111.728 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 88.7 mt -42.23 -20.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -92.65 -39.61 11.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -166.35 70.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.739 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.499 ' C ' ' OG1' ' A' ' 516' ' ' THR . 2.3 m -65.17 -41.53 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.349 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.499 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.0 OUTLIER 175.24 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.481 ' CG ' ' NH1' ' C' ' 72' ' ' ARG . 18.6 t0 -165.53 72.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.1 mt -128.28 152.32 77.79 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.99 161.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.812 2.342 . . . . 0.0 111.974 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 3.0 mt -101.97 -4.88 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.55 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -39.13 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.57 -53.62 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -42.77 -67.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.0 mmt -44.31 -49.28 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.98 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 78.6 p -47.49 -22.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.404 ' C ' ' CD2' ' A' ' 528' ' ' LEU . 1.7 tt -73.54 -68.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.01 -26.69 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' A' ' 530' ' ' LEU . 3.3 tt -65.97 -59.35 3.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.8 -45.91 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.35 -54.85 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.2 t -65.96 -60.75 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -75.9 27.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -62.9 -32.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.628 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.08 -70.97 1.28 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.2 117.61 28.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.589 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.437 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 20.1 p -88.06 -170.85 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 82.6 m-20 -158.32 -179.66 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 542' ' ' ILE . . . -93.49 -57.12 1.38 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.47 -26.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.587 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.427 ' C ' ' N ' ' A' ' 544' ' ' THR . 54.0 mt -80.8 -71.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.7 m -47.72 -17.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.427 ' N ' ' C ' ' A' ' 542' ' ' ILE . 39.2 p -84.94 -49.58 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.535 ' HG ' ' N ' ' A' ' 546' ' ' ILE . 77.3 p -66.25 -45.51 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.207 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . 0.535 ' N ' ' HG ' ' A' ' 545' ' ' SER . 1.5 mt -59.66 -53.58 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 89.4 mmm -59.48 -37.79 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.276 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.9 OUTLIER -64.79 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.264 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.527 ' C ' HD21 ' A' ' 549' ' ' ASN . 0.2 OUTLIER -66.65 -45.27 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.257 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.65 -59.39 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.497 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 9.5 mp -62.75 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.585 ' HG3' ' OG1' ' A' ' 554' ' ' THR . 9.5 tp10 -42.07 -65.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.402 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 556' ' ' ILE . 4.1 tpp180 80.41 -40.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.046 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.813 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.3 m -21.07 -40.78 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.652 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -46.39 -5.21 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.813 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.4 OUTLIER -32.88 -24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.138 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.657 ' C ' ' O ' ' A' ' 556' ' ' ILE . 57.4 mm-40 -9.39 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.699 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 556' ' ' ILE . 86.8 mt -121.91 170.69 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.323 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -158.19 18.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.766 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 21.5 p -89.25 99.18 12.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 55.64 101.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.437 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 15.1 p-90 -162.09 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.2 p -46.08 -19.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 562' ' ' TRP . 70.8 mtp85 -72.54 -75.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -53.07 -31.54 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.54 -70.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.77 9.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.68 -56.19 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -46.64 -62.15 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 55.2 tp -44.09 -24.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.548 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.17 -67.97 1.54 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 18.9 pt -63.06 -9.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.4 tp -48.74 -26.53 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -138.0 96.15 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 64.7 mtp -88.85 41.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . 168.09 177.94 39.63 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 577' ' ' GLN . 2.0 mp0 48.51 99.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -80.78 -19.97 66.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -54.57 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.528 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -45.78 -53.98 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.84 -48.9 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -44.52 -40.09 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.474 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.47 -54.89 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 23.0 t -45.21 -58.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.8 mt -48.01 -35.3 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -57.35 -37.06 72.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.3 m -73.97 -43.58 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.358 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 10.8 mt -59.23 -36.36 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 47.4 m -69.46 -43.27 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.36 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 592' ' ' GLU . 19.6 tt -79.53 159.23 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 591' ' ' ILE . 37.2 mt-10 -46.28 174.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.443 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.6 m80 -135.67 53.58 8.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.72 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.74 -82.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.913 2.409 . . . . 0.0 111.868 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 597' ' ' SER . 32.5 ttm -106.23 -35.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 t -44.24 -24.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 595' ' ' MET . 36.7 t -41.2 -39.23 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.33 -64.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 74.2 mt -41.96 -48.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.555 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -46.85 -50.25 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.29 -51.45 48.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 602' ' ' LEU . 3.9 mm? -55.71 -69.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.9 t -47.12 -33.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.48 -44.9 96.33 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 5.2 t -61.05 -37.05 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.41 -169.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -84.06 116.13 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -113.26 147.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.481 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.03 136.39 44.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.02 107.77 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.162 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -90.71 129.42 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.515 ' C ' ' H ' ' B' ' 9' ' ' THR . 4.7 p -109.71 146.08 35.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.3 mt -48.8 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.515 ' H ' ' C ' ' B' ' 7' ' ' THR . 4.5 p -81.33 3.08 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -3.23 59.17 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.04 139.33 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -112.57 158.93 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -139.49 136.64 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.756 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -101.31 130.77 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.98 130.22 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.796 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -89.02 99.11 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 m -126.52 -166.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.756 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.0 mm-40 -136.98 178.51 1.69 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.169 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.83 -27.19 10.58 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.744 2.296 . . . . 0.0 112.188 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.05 0.46 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.4 m-20 -72.93 137.62 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.533 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -87.49 141.49 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mm -46.18 -51.63 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -49.06 -41.85 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.299 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -42.4 97.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.239 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.42 -51.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.249 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -49.72 -40.62 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.222 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -58.93 -36.94 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.95 -46.83 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.318 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -54.5 -33.22 59.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 32' ' ' ASP . 51.6 t0 -75.49 -33.26 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -71.73 -60.23 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -92.62 -87.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.48 3.75 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.6 mt -73.02 129.3 86.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.633 0.254 . . . . 0.0 110.522 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.92 141.75 30.53 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.655 2.237 . . . . 0.0 111.956 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.01 -65.41 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.852 2.368 . . . . 0.0 112.068 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.5 m-20 -37.87 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' B' ' 38' ' ' PRO . 5.5 mt-30 -105.61 60.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -153.45 134.27 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.696 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -128.78 103.76 7.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.24 123.47 37.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.449 HG22 HD11 ' B' ' 44' ' ' ILE . 45.3 mt -121.21 145.27 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 79.2 t80 -154.77 177.71 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -46.54 -14.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . -104.29 26.76 21.86 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 45' ' ' PHE . 39.2 tttt 69.22 -150.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.307 . . . . 0.0 110.623 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.434 ' H ' ' HG2' ' B' ' 48' ' ' LYS . 7.3 tp-100 -76.15 128.14 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.504 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.49 126.72 33.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -90.0 158.43 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.67 163.13 28.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.22 -56.92 4.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 15.4 mmt180 -45.92 173.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.426 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 68.6 p -121.91 160.36 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.63 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.85 -10.08 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.426 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 33.4 p -86.67 -35.68 19.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -59.12 -41.58 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.41 4.68 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 60.95 23.76 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -67.91 99.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -78.9 -157.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -83.92 161.16 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 55.75 34.11 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.3 m -88.45 131.82 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -93.89 105.33 17.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.512 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -91.61 127.31 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -83.19 97.93 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.607 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.436 HD11 ' H ' ' B' ' 70' ' ' VAL . 64.7 tp -85.3 150.33 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.696 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.436 ' H ' HD11 ' B' ' 69' ' ' LEU . 42.1 t -144.1 153.87 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.422 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 10.1 mp -105.25 167.74 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.645 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' B' ' 74' ' ' ARG . 28.6 ttp180 -63.22 168.26 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.427 ' H ' ' HG2' ' B' ' 72' ' ' ARG . 1.3 tp -71.17 46.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.451 ' H ' ' C ' ' B' ' 72' ' ' ARG . 25.2 ptt180 -68.93 -173.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.93 80.07 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.011 -1.439 . . . . 0.0 110.934 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -86.36 108.95 18.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 10.5 pt -113.08 150.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.08 142.68 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' C' ' 13' ' ' ILE . 93.8 t -125.27 94.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.287 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -76.87 120.6 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.763 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.607 ' HG1' ' H ' ' C' ' 10' ' ' GLY . 67.1 p -67.81 144.68 55.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' C' ' 7' ' ' THR . 0.8 OUTLIER -28.56 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.595 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.5 ' N ' ' O ' ' C' ' 7' ' ' THR . 0.2 OUTLIER -172.96 64.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.405 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . 0.607 ' H ' ' HG1' ' C' ' 7' ' ' THR . . . -151.27 -101.41 0.22 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.606 ' CG ' ' N ' ' C' ' 12' ' ' THR . 15.0 tttt -118.1 166.38 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' THR . . . . . 0.606 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.3 m -110.94 108.38 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.45 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' C' ' 5' ' ' VAL . 5.5 mt -86.98 141.52 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -114.22 124.23 51.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.329 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -120.0 134.41 55.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -88.12 73.67 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.4 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 6.5 m -91.05 -168.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.511 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.6 mt-10 -143.62 146.9 37.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.19 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.55 -28.04 3.96 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.853 2.369 . . . . 0.0 112.39 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.3 22.06 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.887 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 11.3 m-20 -95.88 134.84 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.553 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -81.83 137.64 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.456 HD12 HG21 ' C' ' 23' ' ' ILE . 33.2 mm -45.12 -51.23 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.319 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -48.82 -42.58 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.82 -42.45 97.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.88 -46.13 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.141 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -55.32 -39.82 70.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.253 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.96 85.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.261 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -56.07 -43.89 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.283 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.93 -32.71 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.399 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.57 -31.72 72.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.436 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -79.27 -21.34 46.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -85.76 -58.33 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -93.86 -93.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 24.75 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.443 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 45.1 mt -93.3 103.91 10.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.632 0.253 . . . . 0.0 110.493 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -44.7 137.58 8.72 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.664 2.243 . . . . 0.0 111.919 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.535 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.0 -41.98 20.76 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.881 2.387 . . . . 0.0 112.08 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.79 26.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.712 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.535 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.4 mt-30 -152.28 50.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -149.38 148.25 29.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -142.21 96.96 3.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.431 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.99 108.88 10.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.716 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 52.4 mt -103.03 124.05 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.383 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 57.2 t80 -127.01 -106.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -61.47 72.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.25 29.46 0.65 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -155.4 156.27 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.585 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -91.28 141.87 28.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.6 115.97 21.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.552 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -68.92 157.7 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -73.03 160.96 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.18 -66.66 3.48 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt85 -42.49 168.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.1 p -112.3 167.76 10.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.54 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -64.17 -25.7 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.517 ' C ' ' H ' ' C' ' 59' ' ' TYR . 67.4 p -67.32 -29.69 69.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.577 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -73.97 21.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.517 ' H ' ' C ' ' C' ' 57' ' ' SER . 88.4 m-85 -148.79 9.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 55.81 28.84 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -75.92 96.14 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.36 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.32 -157.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -87.06 160.25 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 57.35 34.01 24.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 29.0 m -86.45 169.53 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.424 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -124.85 119.81 29.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mt -111.33 118.34 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -79.98 95.26 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.25 112.99 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -110.81 127.27 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' C' ' 72' ' ' ARG . 23.5 mt -67.21 164.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' A' ' 517' ' ' ASP . 47.9 ttt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.7 t -69.79 -42.75 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.62 -15.29 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 6.7 tp -64.82 -31.86 55.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.79 -73.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.27 -38.58 6.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 38.8 tp -64.14 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -47.69 85.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 12.7 tt -82.43 -5.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.45 -81.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER -78.43 31.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.638 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.62 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 497' ' ' PHE . . . -110.13 128.38 8.83 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.4 t -164.88 -72.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.4 tttp 61.12 64.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -130.36 162.08 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.35 -3.59 57.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -88.27 -47.13 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 509' ' ' LEU . 53.7 t -40.81 -55.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 508' ' ' LEU . 6.6 mp -72.95 -41.28 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -38.2 -24.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 506' ' ' LEU . 7.7 tp -129.12 -42.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.345 . . . . 0.0 110.752 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 505' ' ' VAL . 31.1 tp -61.3 -32.02 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.564 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.4 tp -61.95 -63.02 4.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.673 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.564 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.57 -46.69 17.09 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.349 2.033 . . . . 0.0 111.442 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 89.8 mt -52.1 -34.92 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.249 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -77.33 -36.24 54.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -163.98 83.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.688 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 516' ' ' THR . 74.2 p -90.22 16.57 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 515' ' ' SER . 1.0 OUTLIER 88.29 -0.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.744 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -174.99 70.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.465 ' CD1' ' OG ' ' A' ' 515' ' ' SER . 27.8 mt -144.75 150.3 46.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.444 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.25 170.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.836 2.358 . . . . 0.0 111.959 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 16.6 mt -106.55 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.433 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -50.52 -95.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.4 m -40.7 -49.6 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.44 -53.07 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.423 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -50.17 -49.4 52.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.1 mtt -61.09 -55.57 30.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.78 -34.66 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 7.0 p -58.06 -46.71 84.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.6 tp -57.71 -55.76 30.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.493 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.71 -36.64 7.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.67 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.415 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.41 -38.07 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.522 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -57.83 -48.34 80.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.09 -59.35 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -84.69 22.94 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.2 p -49.63 -32.05 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -81.97 -85.55 0.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 60.5 p -65.05 -170.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 95.6 m -151.02 -175.23 5.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 540' ' ' GLY . 21.0 t-20 -160.49 -179.97 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.52 ' H ' ' CG ' ' A' ' 539' ' ' ASN . . . -99.39 -51.93 1.28 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.478 ' N ' HH21 ' B' ' 74' ' ' ARG . 23.8 m-20 -37.66 -34.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.442 ' C ' ' N ' ' A' ' 544' ' ' THR . 7.1 mt -80.15 -67.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 27.1 m -46.45 -18.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.475 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.517 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 11.8 p -82.11 -51.74 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.504 ' H ' ' HG1' ' A' ' 544' ' ' THR . 2.9 p -68.76 -46.88 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.177 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 2.0 mt -55.2 -55.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.343 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 91.7 mmm -59.25 -48.74 80.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.517 ' OD2' ' O ' ' A' ' 544' ' ' THR . 1.7 m-20 -52.36 -36.83 54.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 553' ' ' ARG . 11.1 t-20 -61.73 -55.76 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.266 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.438 ' CZ ' ' CD2' ' A' ' 566' ' ' LEU . 19.2 m-85 -43.24 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.432 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 6.7 mp -90.03 -78.83 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.516 ' OE2' ' NH2' ' B' ' 42' ' ' ARG . 30.0 mm-40 -45.25 -43.12 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.66 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.634 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.0 OUTLIER 65.41 -94.11 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.096 1 N-CA-C 98.63 -4.581 . . . . 0.0 98.63 -179.713 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.1 OUTLIER 55.51 -67.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.263 -168.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.726 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -18.15 -32.29 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 167.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.742 ' O ' ' N ' ' A' ' 558' ' ' LEU . 96.9 mt -1.17 -57.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.273 2.327 0 CA-C-O 115.772 -2.061 . . . . 0.0 110.994 163.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.726 ' N ' ' O ' ' A' ' 555' ' ' ALA . 64.6 mm-40 9.38 -66.69 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 121.829 2.104 . . . . 0.0 111.144 171.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.742 ' N ' ' O ' ' A' ' 556' ' ' ILE . 4.4 mm? -107.71 164.11 12.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.452 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.8 tttp -126.68 -101.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 50.14 -95.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -145.86 158.54 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 31.0 p90 -163.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.635 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.624 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 11.3 p -50.95 -20.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.563 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.55 -75.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.39 -42.44 98.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 550' ' ' PHE . 13.0 tp -52.32 -37.52 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.623 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.19 -55.22 15.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 66.2 mt -45.04 -48.97 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -57.96 -68.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.8 tp -46.57 -23.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -86.52 -77.79 1.23 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.25 -21.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.345 . . . . 0.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 571' ' ' GLY . 20.5 tp -52.52 -57.51 9.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 575' ' ' MET . 65.9 m-85 -92.26 130.63 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 574' ' ' TYR . 31.0 mtm -57.15 -157.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.07 -116.11 0.04 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -59.93 123.42 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -169.11 133.79 2.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.89 -17.87 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.83 -40.91 81.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.68 -39.34 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.1 -32.56 69.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.52 ' OD2' ' NZ ' ' B' ' 6' ' ' LYS . 15.7 t70 -75.91 -62.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.6 t -49.7 -49.57 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 28.3 tp -53.35 -45.8 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.46 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -49.79 -48.45 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.51 ' H ' ' HG1' ' A' ' 587' ' ' THR . 2.0 m -55.49 -55.04 36.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.442 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 53.9 mt -49.43 -39.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.436 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 9.5 t -74.38 -29.1 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.402 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 47' ' ' GLY . . . -52.91 -57.58 9.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.544 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 592' ' ' GLU . 81.3 mt -81.54 123.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.49 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 591' ' ' ILE . 52.7 mt-10 -42.84 -97.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.446 ' C ' ' H ' ' A' ' 595' ' ' MET . 5.3 m-70 40.27 78.11 0.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.68 28.21 0.35 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.004 2.47 . . . . 0.0 112.087 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.446 ' H ' ' C ' ' A' ' 593' ' ' HIS . 16.2 mtt -89.95 -37.77 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 7.3 t -83.31 -2.21 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.7 t -40.09 -31.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.75 -55.73 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.419 HG23 HD11 ' A' ' 599' ' ' ILE . 79.0 mt -58.51 -44.52 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -46.01 -55.97 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -55.74 -32.4 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.406 ' C ' ' CD2' ' A' ' 602' ' ' LEU . 1.8 tt -72.16 -65.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.66 -26.49 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -70.22 -57.73 6.63 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.9 t -45.71 -43.43 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.514 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.3 m -80.87 -178.2 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.532 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -109.55 112.2 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.75 156.04 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.543 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 60.4 m-85 -113.8 140.1 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.655 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.0 t -118.77 106.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.21 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.52 ' NZ ' ' OD2' ' A' ' 583' ' ' ASP . 17.0 ttpt -88.12 137.95 31.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.481 ' O ' ' N ' ' B' ' 9' ' ' THR . 30.9 p -103.96 143.28 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -45.17 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.538 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.481 ' N ' ' O ' ' B' ' 7' ' ' THR . 1.5 p -78.52 -53.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.481 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.415 ' N ' ' OG1' ' B' ' 9' ' ' THR . . . 145.55 0.91 0.79 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -85.68 129.77 34.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -111.01 121.4 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -107.15 127.83 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.543 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 3.6 m -101.8 125.26 48.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.414 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.55 139.13 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.863 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -83.57 113.6 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.117 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' B' ' 1' ' ' MET . 4.7 m -139.39 168.64 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.631 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 68.4 mt-10 -122.45 149.33 54.99 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.272 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -21.4 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.946 2.431 . . . . 0.0 112.427 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -91.9 -18.66 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.631 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 7.5 m-20 -45.11 136.57 4.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 173.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.454 ' O ' ' N ' ' B' ' 25' ' ' ASN . 7.3 p -88.39 134.02 33.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -40.98 -52.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -38.14 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' B' ' 22' ' ' THR . 13.2 t-20 -63.48 -48.3 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.06 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -55.23 -46.44 77.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.128 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.88 -38.12 69.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.55 81.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.76 -40.11 78.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.261 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.85 -37.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -64.71 -35.72 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -69.3 -29.52 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -80.72 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -85.94 -84.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.598 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.68 13.02 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.468 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 55.3 mt -83.85 118.82 72.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.682 0.277 . . . . 0.0 110.532 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 136.79 14.49 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.66 2.24 . . . . 0.0 111.847 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.7 -67.44 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.764 2.309 . . . . 0.0 111.992 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -42.8 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 38' ' ' PRO . 53.4 mm-40 -101.91 57.11 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.584 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 69.6 mt-30 -153.07 134.24 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.516 ' NH2' ' OE2' ' A' ' 552' ' ' GLU . 11.6 ttm180 -123.87 106.79 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -102.09 113.52 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -106.91 133.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.268 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.628 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 64.4 t80 -123.6 171.33 9.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.628 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -50.22 83.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 150.89 -82.9 0.18 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -152.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.646 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -101.35 146.22 27.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.14 106.84 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.61 158.58 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 163.67 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 81.09 -68.74 3.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.4 mmt180 -42.59 169.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.295 . . . . 0.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.45 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 71.6 p -116.82 171.27 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.524 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.72 2.18 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.543 ' C ' ' H ' ' B' ' 59' ' ' TYR . 80.1 p -90.77 -33.97 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.61 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 0.4 OUTLIER -73.91 24.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.543 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.0 m-85 -148.32 3.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.493 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER 55.68 37.1 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -84.9 108.38 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.464 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -89.01 -170.67 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.666 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -73.32 160.61 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 55.03 26.73 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -85.28 129.75 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.7 m -91.14 134.7 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.32 174.77 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -123.82 105.93 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.222 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.4 tp -90.8 138.49 31.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.526 ' CG1' ' H ' ' B' ' 71' ' ' LEU . 8.9 t -148.25 177.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.338 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.585 ' CD2' ' N ' ' B' ' 71' ' ' LEU . 1.3 pt? -161.75 155.52 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' B' ' 71' ' ' LEU . 59.9 mtt180 -39.16 167.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.674 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 3.3 mm? -38.15 108.13 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.478 HH21 ' N ' ' A' ' 541' ' ' ASP . 31.0 ttp180 -79.08 100.97 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.84 -127.03 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . 0.535 ' OXT' ' CG ' ' C' ' 68' ' ' HIS . . . . . . . . 0 C--O 1.221 -0.671 0 CA-C-O 118.062 -1.41 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.51 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -86.92 121.65 29.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.484 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -127.94 147.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.08 150.82 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' C' ' 13' ' ' ILE . 61.0 t -131.9 95.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.337 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -79.43 122.8 26.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 16.9 p -73.64 141.94 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' C' ' 9' ' ' THR . 0.6 OUTLIER -31.66 -39.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.5 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 0.8 OUTLIER -173.86 71.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.326 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.99 -91.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.576 ' CG ' ' N ' ' C' ' 12' ' ' THR . 0.4 OUTLIER -133.44 166.7 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.732 -179.601 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' THR . . . . . 0.576 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.6 m -111.13 102.17 10.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' C' ' 5' ' ' VAL . 2.9 mt -83.8 148.29 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -125.59 127.62 46.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -123.86 147.07 47.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.954 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -98.38 86.44 3.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.252 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 1' ' ' MET . 15.7 m -104.38 -169.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -137.68 147.0 55.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.305 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.85 -17.31 0.26 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.86 2.374 . . . . 0.0 112.382 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -101.59 22.36 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.25 132.52 38.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.47 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -81.55 141.87 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.423 HG22 HD11 ' C' ' 23' ' ' ILE . 17.9 mm -45.6 -53.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.45 -39.21 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.388 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -63.41 -49.78 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.73 -53.17 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.252 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . 0.448 ' HZ1' ' H ' ' C' ' 43' ' ' LEU . 63.3 mttm -51.94 -34.53 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.282 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -57.39 -33.98 68.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 mt -67.84 -41.75 85.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.405 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -61.15 -40.74 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.01 -28.54 68.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.76 -64.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -87.24 -109.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.04 21.62 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.463 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 41.7 mt -96.47 101.9 10.0 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.642 0.258 . . . . 0.0 110.492 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.08 144.43 3.95 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.665 2.243 . . . . 0.0 111.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -61.64 0.57 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.736 2.29 . . . . 0.0 111.972 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -41.82 -34.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.93 55.37 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.743 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.6 mt-30 -153.34 154.46 34.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.47 ' NH2' ' O ' ' A' ' 515' ' ' SER . 34.3 ttp180 -153.33 95.05 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.448 ' H ' ' HZ1' ' C' ' 27' ' ' LYS . 17.7 mt -76.44 119.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.657 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 31.9 mt -119.02 140.27 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' C' ' 48' ' ' LYS . 82.1 t80 -147.89 141.75 25.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.52 40.52 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.45 99.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' C' ' 45' ' ' PHE . 58.5 mttp -145.42 119.41 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -75.83 132.46 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.64 119.69 27.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -71.58 158.42 36.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 104.75 13.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 148.86 -62.47 0.42 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' C' ' 53' ' ' GLY . 7.5 mmt-85 -46.53 175.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.446 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 46.7 p -115.35 172.63 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.4 -16.18 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.446 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 30.3 p -76.73 -32.63 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -39.9 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.68 23.24 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 p30 40.44 31.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.75 100.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.364 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.39 -164.24 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -78.57 161.25 27.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.659 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 57.76 32.78 22.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.611 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -87.13 129.84 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -91.47 92.26 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.05 124.27 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . 0.535 ' CG ' ' OXT' ' B' ' 76' ' ' GLY . 65.0 m80 -83.67 96.44 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 21.4 tp -77.74 114.72 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.95 138.75 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.68 166.75 15.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.598 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.865 0.364 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 27.4 p -48.61 -30.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.44 73.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.41 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.2 mm -45.49 -46.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.6 tp -45.88 -63.23 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.64 -67.69 1.57 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.544 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.1 mp -43.05 -32.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.524 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . 0.401 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -58.62 -63.56 5.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.439 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.7 pp -74.97 8.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -87.87 -72.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.615 ' C ' ' H ' ' A' ' 499' ' ' GLY . 56.2 p90 -81.98 23.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.567 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 499' ' ' GLY . . . -65.65 12.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.615 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -40.02 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 499' ' ' GLY . 58.6 m -170.07 -33.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -164.54 94.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -115.51 131.38 56.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 15.7 p-10 -84.94 -12.3 53.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -80.25 -24.38 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.999 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 509' ' ' LEU . 24.6 t -74.5 -64.21 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.192 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' A' ' 510' ' ' LEU . 1.7 tp -55.69 -27.81 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -64.93 -61.04 6.17 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 511' ' ' PRO . 65.8 mt -84.67 -46.59 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.461 ' CB ' ' O ' ' A' ' 505' ' ' VAL . 0.2 OUTLIER -50.59 -57.02 9.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.619 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.3 tp -44.23 -65.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.984 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.688 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.69 -63.38 0.33 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.311 2.007 . . . . 0.0 111.785 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.47 -20.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.566 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -87.56 -34.5 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.616 ' C ' ' H ' ' A' ' 516' ' ' THR . . . -153.35 37.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.688 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -58.23 1.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.616 ' H ' ' C ' ' A' ' 514' ' ' ALA . 0.2 OUTLIER 80.34 101.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 516' ' ' THR . 11.2 t0 77.04 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 2.2 pp -173.95 147.71 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.21 110.05 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.798 2.332 . . . . 0.0 111.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 6.9 pt -88.46 26.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.78 -38.87 64.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.2 t -101.79 -15.47 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.414 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -80.02 -79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 69.9 mtp -45.38 -35.13 3.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.3 -56.83 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 58.6 p -46.53 -42.41 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.57 -51.88 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.564 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.6 -38.95 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -46.79 83.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.4 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -58.31 -47.33 84.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.514 ' C ' ' H ' ' A' ' 535' ' ' VAL . 95.6 t -78.06 -55.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.77 7.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 533' ' ' VAL . 14.7 p -46.3 -42.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -76.74 -69.62 1.37 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 89.9 m -82.13 113.27 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.81 -175.05 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -171.65 112.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.36 49.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 544' ' ' THR . 67.6 m-20 -41.67 -37.94 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.708 0.289 . . . . 0.0 110.604 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.44 -46.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 12.8 m -65.87 -46.19 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 19.4 p -46.74 -58.69 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.13 -58.62 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.341 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -30.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.4 tpt -73.88 -50.73 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -40.09 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.37 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.538 ' O ' ' N ' ' A' ' 553' ' ' ARG . 5.0 t30 -70.67 -58.14 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -40.59 -30.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.652 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.5 -76.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 42' ' ' ARG . 67.6 mm-40 -51.56 -19.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 549' ' ' ASN . 10.2 mmt85 42.21 45.85 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.742 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -87.94 -152.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.52 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 35.36 22.53 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.742 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.1 tp -93.28 2.58 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.67 -11.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 556' ' ' ILE . 21.7 tp -136.09 94.77 3.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.586 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 560' ' ' THR . 95.0 mttt -84.82 140.92 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 54.4 m -169.2 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.528 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 560' ' ' THR . 68.5 m-20 -158.39 124.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -167.01 -30.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.623 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 97.3 t -45.67 -38.14 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -57.8 -76.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -50.96 -50.41 58.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 44.2 tp -46.16 -50.5 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.86 75.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.38 -52.36 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -52.05 -64.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.1 tp -49.86 -11.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -91.47 -76.21 1.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 7.0 tp -50.45 -25.24 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.623 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -41.33 -72.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.437 ' CZ ' ' NE2' ' A' ' 580' ' ' GLN . 66.2 m-85 -75.5 121.46 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 6.1 mmt -79.29 -55.87 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -127.67 -150.05 7.28 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 54.9 67.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -54.31 -33.54 52.85 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.37 -51.05 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.6 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.437 ' NE2' ' CZ ' ' A' ' 574' ' ' TYR . 0.1 OUTLIER -44.76 -56.18 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.6 t -49.27 -51.87 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -40.93 -44.11 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.52 ' OD2' ' NE2' ' B' ' 68' ' ' HIS . 17.2 t70 -62.02 -50.95 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 91.2 t -50.54 -56.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 44.0 mt -45.96 -46.27 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.27 -44.92 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.5 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 590' ' ' ALA . 3.7 m -59.6 -66.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.64 -46.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 t -67.24 -34.08 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.513 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -47.67 -44.72 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.478 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 93.4 mt -90.61 155.84 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -60.21 -116.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.678 ' N ' ' HD1' ' A' ' 593' ' ' HIS . 0.2 OUTLIER 44.8 74.7 0.75 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 4.8 4.67 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.959 2.439 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.13 -22.03 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 6.9 p -82.03 -4.0 55.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 82.0 p -43.18 -49.67 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -48.44 -38.12 18.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.1 mt -73.09 -49.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -45.61 -43.29 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.01 -38.05 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.3 tt -58.12 -67.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.77 -34.94 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.93 95.1 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 6.1 t -61.93 -52.8 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.0 m -80.37 121.27 25.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.602 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.628 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.459 ' O ' ' OE2' ' B' ' 64' ' ' GLU . 96.5 mt-30 -99.82 105.32 17.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -96.51 145.71 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -102.18 131.02 48.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 t -111.88 107.55 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.217 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.444 ' HZ2' ' CG ' ' A' ' 583' ' ' ASP . 22.4 ttpt -85.79 134.36 33.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.687 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.556 ' C ' ' H ' ' B' ' 9' ' ' THR . 16.4 p -111.7 145.58 39.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.03 -5.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.556 ' H ' ' C ' ' B' ' 7' ' ' THR . 16.1 p -88.26 -5.78 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.02 -7.26 81.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -89.97 141.05 29.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.5 m -117.41 144.23 45.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mt -123.71 141.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -109.22 112.91 25.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' B' ' 15' ' ' LEU . 1.7 mm? -109.2 126.88 53.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.92 86.34 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.628 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.5 m -113.44 170.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.669 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 45.0 mm-40 -127.22 151.7 74.92 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.11 -26.14 2.11 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.873 2.382 . . . . 0.0 112.366 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 22.33 7.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.765 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.669 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.0 m-20 -94.06 137.37 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.543 ' OG1' ' ND2' ' B' ' 25' ' ' ASN . 2.5 p -86.48 143.63 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.63 -41.45 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.97 -41.1 77.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.451 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.638 ' N ' HD21 ' B' ' 25' ' ' ASN . 0.8 OUTLIER -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.39 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.32 -51.6 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.399 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -53.08 -42.33 65.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.76 76.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -55.64 -38.04 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.347 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.47 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.382 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.66 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.85 -30.83 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -74.97 -63.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -85.24 -87.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.85 6.77 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.0 mt -79.68 135.61 56.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.297 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.38 139.22 25.77 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.696 2.264 . . . . 0.0 111.971 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.645 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.28 -45.72 18.07 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.744 2.296 . . . . 0.0 112.075 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.9 22.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.645 ' H ' ' C ' ' B' ' 38' ' ' PRO . 61.2 mt-30 -154.07 50.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -149.3 143.1 25.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' A' ' 552' ' ' GLU . 37.0 ttm105 -134.23 108.62 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.09 128.37 46.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.631 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.417 HG23 HD13 ' B' ' 44' ' ' ILE . 72.0 mt -125.98 134.48 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.9 t80 -117.33 175.28 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.587 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.49 -29.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.42 -89.58 0.66 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -146.58 -149.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.543 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.1 137.48 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -87.68 111.27 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 1.3 mp0 -79.99 157.67 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.24 147.74 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 100.3 -68.94 0.5 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -43.28 166.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.684 0.278 . . . . 0.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.5 p -112.69 174.46 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.05 -15.39 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.7 p -80.5 -15.98 55.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.2 -4.72 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.53 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -120.09 11.23 11.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.684 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 55.94 27.42 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -76.36 119.09 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -93.72 -165.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.97 157.8 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.459 ' OE2' ' O ' ' B' ' 2' ' ' GLN . 5.0 mm-40 57.9 24.37 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.574 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.8 m -77.24 130.69 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 m -90.88 106.5 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -93.49 169.75 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.52 ' NE2' ' OD2' ' A' ' 583' ' ' ASP . 7.9 m80 -117.8 108.23 15.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.392 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -94.36 142.4 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.46 127.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.12 161.06 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -57.48 -161.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 73' ' ' LEU . 2.8 mm? -71.71 85.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.431 ' CZ ' ' OD1' ' A' ' 541' ' ' ASP . 56.8 ttt180 -55.74 103.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.4 48.7 1.22 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.759 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.921 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.553 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.1 ttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -85.03 112.8 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.3 pt -118.63 152.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.641 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' OG1' ' C' ' 14' ' ' THR . 96.4 m-85 -107.27 147.78 29.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.1 t -131.79 95.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.7 120.99 24.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.597 ' OG1' ' N ' ' C' ' 10' ' ' GLY . 30.1 p -74.36 142.59 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.139 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.436 ' O ' ' CG2' ' C' ' 9' ' ' THR . 18.8 tp -43.45 -41.59 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.296 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 24.1 p -159.19 60.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.244 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . 0.597 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -144.93 -82.34 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.595 ' N ' ' OG1' ' C' ' 7' ' ' THR . 0.1 OUTLIER -164.63 169.14 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.404 . . . . 0.0 110.799 -179.586 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' THR . . . . . 0.481 ' N ' ' HG3' ' C' ' 11' ' ' LYS . 24.2 m -97.07 108.94 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.509 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.29 137.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.725 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' THR . . . . . 0.447 ' OG1' ' CE1' ' C' ' 4' ' ' PHE . 78.2 m -111.09 122.02 46.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -121.74 135.7 54.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.757 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -88.58 78.35 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.0 m -95.87 -170.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.42 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 31.6 mt-10 -141.25 145.94 40.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.349 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.43 -24.2 2.54 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.861 2.374 . . . . 0.0 112.34 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.9 6.06 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 12.3 m-20 -86.6 141.7 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -173.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.412 ' O ' ' C ' ' C' ' 23' ' ' ILE . 1.4 p -91.38 136.78 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.554 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.2 mm -39.37 -54.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -48.15 -44.18 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.425 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' C' ' 22' ' ' THR . 35.9 t-20 -58.11 -48.43 80.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -55.41 -53.83 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -48.69 -35.99 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.239 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.75 -49.94 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.244 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.71 -31.86 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.52 -46.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.86 -39.1 57.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -67.45 -62.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.01 -97.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.16 6.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 44.2 mt -78.88 126.96 81.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -73.43 144.66 36.77 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.585 2.19 . . . . 0.0 111.94 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.618 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.43 -48.3 13.76 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.831 2.354 . . . . 0.0 112.011 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.3 29.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.618 ' H ' ' C ' ' C' ' 38' ' ' PRO . 63.9 mt-30 -154.1 10.12 0.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 82.8 mt-30 -114.33 155.82 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.533 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -150.19 108.65 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.17 111.81 20.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 33.6 mt -115.18 123.97 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.512 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -119.32 107.05 12.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.78 25.07 14.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.88 65.03 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -100.77 105.48 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.644 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.28 130.61 41.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.43 131.39 34.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 9.6 mp0 -89.44 158.62 17.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.557 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.2 OUTLIER -70.39 163.23 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.59 -63.5 4.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 31.0 mmt-85 -46.82 165.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.548 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 54.6 p -111.48 166.83 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.92 -17.46 64.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -78.76 -19.77 51.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -82.21 9.84 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -135.87 9.59 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 58.01 27.14 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.619 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -76.72 90.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -76.22 -157.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.665 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -81.15 159.73 24.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 58.52 34.36 23.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.722 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -90.07 129.58 36.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -90.67 115.28 27.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -106.57 121.36 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -81.06 103.65 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.94 119.29 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -116.87 149.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.487 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tp -87.29 157.55 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.656 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 20.6 p -48.51 129.84 16.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 486' ' ' SER . 36.5 mtmt -77.8 131.25 37.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.9 pt -46.71 -17.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 484' ' ' LYS . 53.5 p -55.43 -59.99 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' SER . . . . . 0.428 ' N ' ' OG ' ' A' ' 486' ' ' SER . 51.2 p -46.73 -47.23 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.71 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -64.88 -66.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.429 HG21 HD13 ' A' ' 490' ' ' ILE . 15.5 mm -49.01 -39.62 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.58 -48.17 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.39 94.42 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.94 -45.58 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.527 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.76 -40.6 72.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 71.8 mt -81.88 -10.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.582 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.45 -76.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -87.32 28.21 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.72 -66.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.38 75.6 0.57 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 35.0 t -163.22 94.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -71.91 52.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.464 HD21 ' N ' ' A' ' 503' ' ' ASP . 0.5 OUTLIER -83.69 126.66 33.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.464 ' N ' HD21 ' A' ' 502' ' ' ASN . 49.3 t0 -72.16 5.79 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.688 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 502' ' ' ASN . 29.3 tt0 -83.67 -66.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.94 -47.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.3 -43.06 98.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.12 -9.73 12.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 82.9 mt -111.45 -39.57 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.714 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 61.3 mt -67.96 -54.4 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.513 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mt -43.12 -64.07 0.83 Allowed Pre-proline 0 C--N 1.331 -0.227 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.433 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.63 -55.59 3.45 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.602 2.202 . . . . 0.0 111.51 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.85 -11.0 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -103.36 -22.1 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -163.19 50.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.726 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.6 p -88.88 9.43 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 515' ' ' SER . 38.6 p 49.1 63.39 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 518' ' ' LEU . 26.1 t70 -173.71 -103.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.521 ' O ' ' O ' ' A' ' 519' ' ' PRO . 0.3 OUTLIER -34.68 155.09 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -44.83 -175.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.952 2.435 . . . . 0.0 112.129 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.96 9.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 523' ' ' ALA . 89.7 mt-10 -64.12 -88.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.621 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 51.1 p -52.77 -7.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 521' ' ' GLU . . . -71.78 -61.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.444 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -45.28 -62.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.4 mtt -43.08 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.42 -55.15 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 20.3 p -41.28 -45.83 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.624 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.51 -41.13 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.0 -52.37 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.35 -53.65 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.49 -46.29 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.01 -47.27 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 535' ' ' VAL . 73.2 t -70.11 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.608 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.79 19.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 533' ' ' VAL . 8.3 p -47.06 -42.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -83.62 -77.61 1.11 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 64.7 m -74.88 110.86 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 538' ' ' CYS . 20.7 p -89.78 126.14 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.473 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -83.33 -178.59 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 542' ' ' ILE . . . -96.15 -55.68 1.26 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.478 ' C ' ' HG1' ' A' ' 544' ' ' THR . 30.1 m-20 -44.4 -22.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.422 ' N ' ' C ' ' A' ' 540' ' ' GLY . 96.7 mt -77.47 -78.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 4.7 m -42.8 -25.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.478 ' HG1' ' C ' ' A' ' 541' ' ' ASP . 22.6 p -70.4 -53.84 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.522 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -48.14 71.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.189 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.25 -39.54 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' MET . . . . . 0.498 ' C ' ' H ' ' A' ' 549' ' ' ASN . 19.4 ttm -70.79 -56.17 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.212 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 544' ' ' THR . 27.4 m-20 -54.02 -8.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.265 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 553' ' ' ARG . 5.2 t-20 -87.45 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.191 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -46.58 -25.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.394 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.31 -79.6 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.374 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.503 ' CG ' HH12 ' B' ' 42' ' ' ARG . 15.0 mt-10 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.201 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 549' ' ' ASN . 9.2 ttp180 70.83 -78.43 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.735 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 54.94 -104.27 0.21 Allowed 'General case' 0 CA--C 1.543 0.682 1 N-CA-C 97.59 -4.967 . . . . 0.0 97.59 -169.607 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.693 ' C ' ' O ' ' A' ' 554' ' ' THR . . . -15.8 82.43 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -165.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 21.0 tt -130.93 -8.66 2.15 Favored 'Isoleucine or valine' 1 C--O 1.123 -5.585 0 C-N-CA 129.131 2.972 . . . . 0.0 110.999 -167.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 556' ' ' ILE . 29.4 mm-40 -34.65 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.364 1.233 1 O-C-N 129.288 4.117 . . . . 0.0 110.429 177.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 556' ' ' ILE . 47.2 mt -148.19 -179.93 7.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 560' ' ' THR . 57.1 tttm -172.46 145.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 29.3 m -167.82 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.466 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 40.5 p-10 -165.02 105.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -159.39 -8.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.41 -18.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -71.43 -55.13 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.61 -35.96 82.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.39 -55.59 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.65 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.46 -50.97 61.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -51.59 -56.94 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -45.6 -29.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.22 -66.38 1.92 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.5 pt -67.57 -6.46 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 569' ' ' ALA . 43.1 tp -46.21 -30.86 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -105.41 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 55.1 mtp -70.48 -43.74 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 151.72 -81.35 0.18 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -77.1 104.05 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -177.42 123.65 0.9 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -64.63 -6.2 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -50.36 -50.17 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 8.5 p -56.45 -43.67 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 1.1 m-20 -47.16 -47.1 23.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.29 -50.45 73.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.6 t -46.82 -56.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 68.2 mt -49.58 -35.4 20.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -60.09 -33.73 72.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 4.4 m -72.17 -45.32 60.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.543 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.74 -30.94 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 30.7 t -80.72 -31.18 36.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.05 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.1 tt -104.72 149.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.08 -134.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.511 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.94 73.8 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.43 14.65 0.92 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.038 2.492 . . . . 0.0 111.982 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 43.4 mtm -78.95 -38.36 37.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -2.43 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 62.5 m -41.34 -52.92 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.7 -41.83 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 602' ' ' LEU . 18.3 mt -67.28 -49.6 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.26 -30.96 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 36.2 t -79.36 -30.51 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 599' ' ' ILE . 1.8 tt -67.8 -67.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.71 -42.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.68 -60.52 8.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 23.7 p -45.22 -35.96 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.6 m -82.01 -178.83 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 48.13 -139.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -78.14 177.52 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 59.5 p 49.15 78.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.543 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 171.89 -73.08 0.1 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 55.9 p -54.5 158.08 2.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.941 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.553 ' HB3' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -101.95 106.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -102.42 151.87 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.09 156.85 17.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.21 106.24 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.129 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -92.18 121.26 33.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p -84.87 161.19 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.72 4.48 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.6 p -93.41 -52.35 4.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.07 57.65 0.02 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -165.72 153.54 10.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -121.03 155.57 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.48 129.26 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.666 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -97.91 103.4 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mp -108.99 132.2 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -88.12 113.11 23.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.4 m -133.38 -168.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.912 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.1 mt-10 -140.44 179.31 1.29 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.071 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.513 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.4 Cg_exo -74.63 -35.91 3.23 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.738 2.292 . . . . 0.0 112.169 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -76.26 -11.93 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.2 m-20 -60.43 135.86 57.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.534 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 4.1 p -89.98 136.1 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -41.98 -39.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.342 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.35 -45.02 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.316 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.434 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 2.9 m-20 -60.17 -38.12 82.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.224 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.66 -53.98 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -49.38 -40.36 35.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.272 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.9 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.324 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -53.67 -36.71 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.372 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -67.74 -49.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -52.16 -33.3 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.434 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -74.65 -35.86 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.47 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -68.18 -57.75 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.473 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.3 -95.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.71 6.95 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 68.5 mt -73.18 129.65 85.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.65 0.262 . . . . 0.0 110.433 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.97 138.29 25.53 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.588 2.192 . . . . 0.0 111.935 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.565 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.29 -50.66 9.82 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.3 . . . . 0.0 112.006 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.71 -3.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.565 ' H ' ' C ' ' B' ' 38' ' ' PRO . 6.1 mt-30 -135.02 68.53 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -152.82 157.63 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.716 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.503 HH12 ' CG ' ' A' ' 552' ' ' GLU . 22.0 ttm180 -151.09 103.78 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -100.07 125.41 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.408 HD11 HG23 ' B' ' 44' ' ' ILE . 12.5 mt -124.21 142.12 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.257 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.3 t80 -143.23 160.83 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.29 90.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 149.46 -61.88 0.42 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' B' ' 49' ' ' GLN . 35.3 tttt -175.91 -151.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.409 ' H ' ' HG2' ' B' ' 48' ' ' LYS . 23.4 tt0 -97.0 145.81 25.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -88.39 117.9 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.59 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -85.31 158.6 20.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.75 152.56 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 91.82 -66.33 2.24 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -40.89 164.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.648 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -110.54 155.5 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 83.8 mt -56.03 -16.86 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.513 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 14.9 m -74.8 -38.34 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -54.48 -41.82 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.651 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -87.58 18.34 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.61 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.408 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 1.6 p-10 42.21 32.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.89 110.84 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.413 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -87.11 -172.07 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.553 ' HB3' ' HB3' ' B' ' 1' ' ' MET . 14.6 ptpt -74.85 161.21 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 58.77 26.46 14.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -86.79 132.01 33.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -85.29 118.18 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.525 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.45 112.29 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -74.13 106.77 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.412 HD12 ' H ' ' B' ' 70' ' ' VAL . 47.5 tp -99.56 133.79 43.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.412 ' H ' HD12 ' B' ' 69' ' ' LEU . 11.6 t -136.91 144.53 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 mp -81.17 167.72 19.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.692 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 61.6 ttt180 -65.44 168.01 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 13.5 tp -79.55 92.69 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -134.62 -152.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.25 128.19 1.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.853 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.528 ' HE2' ' HG3' ' C' ' 19' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -105.37 105.58 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.626 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 pt -95.98 149.19 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -105.46 148.77 26.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.56 95.71 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.153 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -81.2 130.05 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.664 ' OG1' ' N ' ' C' ' 10' ' ' GLY . 9.7 p -90.63 143.72 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.176 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' C' ' 7' ' ' THR . 84.6 mt -36.13 -48.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 21.6 p -158.96 51.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.377 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . 0.664 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -128.48 -71.48 0.15 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.558 ' CG ' ' N ' ' C' ' 12' ' ' THR . 0.0 OUTLIER -174.84 169.92 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.963 0.411 . . . . 0.0 110.775 -179.623 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' THR . . . . . 0.558 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 11.5 m -103.17 101.42 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -86.53 137.59 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -111.25 127.59 55.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.111 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mt -128.1 135.64 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.833 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.22 107.34 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' C' ' 1' ' ' MET . 15.4 m -127.57 -172.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.507 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 1.6 mt-10 -135.7 178.47 1.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.109 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.528 ' HG3' ' HE2' ' C' ' 1' ' ' MET . 3.3 Cg_exo -74.77 -26.49 11.36 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.745 2.297 . . . . 0.0 112.135 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.46 1.18 55.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 5.3 m-20 -73.57 136.06 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -88.85 141.55 28.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.747 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.401 HG22 HD11 ' C' ' 23' ' ' ILE . 27.1 mm -45.63 -51.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.349 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -48.73 -42.33 34.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.306 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.466 HD22 ' NZ ' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -60.09 -45.53 92.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.189 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.92 -52.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.146 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -50.52 -34.51 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -44.64 83.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . 0.466 ' NZ ' HD22 ' C' ' 25' ' ' ASN . 48.1 mttm -60.14 -34.69 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.39 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mt -70.6 -44.84 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -57.82 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -74.8 -34.42 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.46 -108.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.1 12.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -82.63 121.45 77.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 110.494 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.92 141.91 34.09 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.641 2.227 . . . . 0.0 111.88 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.621 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -46.75 16.07 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -61.43 8.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.621 ' H ' ' C ' ' C' ' 38' ' ' PRO . 2.4 mm100 -141.88 35.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -126.87 171.44 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -172.12 95.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.68 117.58 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mt -114.79 132.45 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.507 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' C' ' 48' ' ' LYS . 74.6 t80 -133.34 128.84 36.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.553 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.67 28.68 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.41 -14.17 55.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' C' ' 45' ' ' PHE . 1.4 mptm? -89.13 114.6 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.315 . . . . 0.0 110.616 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -74.31 134.61 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.68 131.89 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -93.28 159.13 15.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.05 157.56 36.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.521 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 92.31 -62.18 2.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 53' ' ' GLY . 25.8 mmt-85 -42.93 168.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 39.1 p -118.69 156.7 28.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.07 -12.69 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -83.57 -30.88 26.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.65 -39.3 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.82 -1.96 57.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 73.63 1.67 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -46.09 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.02 -160.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' C' ' 1' ' ' MET . 50.0 pttt -80.3 160.2 25.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.768 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 54.01 25.89 5.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.73 129.84 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -86.65 111.97 21.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.31 125.79 50.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -81.82 105.17 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.18 112.49 15.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.2 155.4 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.734 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 20.9 mt -102.78 163.7 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.385 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . 0.507 HH21 ' NH2' ' C' ' 74' ' ' ARG . 53.0 ttt180 -156.57 156.04 32.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 27.8 tp -173.74 95.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.46 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . 0.507 ' NH2' HH21 ' C' ' 72' ' ' ARG . 13.8 ptp180 -153.18 155.73 37.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.74 98.98 0.15 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.919 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.6 t -168.48 161.49 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.576 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -171.49 -60.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.63 -36.14 63.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.413 ' HG ' ' N ' ' A' ' 487' ' ' SER . 84.2 p -48.09 -43.17 30.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' SER . . . . . 0.413 ' N ' ' HG ' ' A' ' 486' ' ' SER . 67.9 m -64.37 -48.86 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.595 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -55.73 -29.23 59.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.58 49.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.2 -35.33 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.31 -70.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.518 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -44.41 -39.36 5.63 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 6.7 tp -68.06 -35.92 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 110.507 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.5 -35.31 61.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 495' ' ' ILE . 11.1 mm -86.83 -16.9 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.578 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -64.95 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 45.4 p90 -83.71 27.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.58 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.493 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -94.08 -150.59 27.1 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 15.5 p 43.58 71.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -72.8 53.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.53 -172.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.648 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -101.58 10.43 40.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -91.18 -46.93 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.208 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 16.0 t -41.86 -50.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.383 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' A' ' 508' ' ' LEU . 9.9 mp -80.29 -36.62 34.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.525 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.02 1.7 1.24 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 506' ' ' LEU . 8.8 tp -139.63 -47.49 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 509' ' ' LEU . 4.8 tt -65.29 -54.79 23.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.551 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.4 tp -43.21 -62.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.766 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -47.23 -51.13 9.96 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.356 2.038 . . . . 0.0 111.677 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.8 mt -53.32 -17.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -83.87 -38.4 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -151.98 50.99 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.721 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -83.91 21.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 515' ' ' SER . 63.3 p 50.43 54.4 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.62 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -177.39 -30.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.602 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.6 mm? -85.45 141.78 37.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -46.89 -172.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.746 2.297 . . . . 0.0 111.915 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 555' ' ' ALA . 59.3 mt -104.88 -29.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -64.23 -68.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 32.0 p -49.54 -34.81 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -68.25 -49.78 58.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.83 60.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.4 mtt -71.56 -36.08 70.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -58.14 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.8 t -58.29 -31.01 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.8 tt -56.42 -59.89 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.71 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.1 tt -43.39 -50.71 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.84 -43.46 92.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -46.1 -49.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.6 t -72.54 -58.82 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.535 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -77.24 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 533' ' ' VAL . 15.0 p -47.6 -40.68 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -81.13 -99.34 0.37 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.02 110.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 28.6 t -94.93 131.17 41.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.76 178.19 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 542' ' ' ILE . . . -100.19 -57.33 0.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.509 ' CG ' HH22 ' B' ' 74' ' ' ARG . 72.1 m-20 -41.0 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 0.0 110.625 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 540' ' ' GLY . 97.1 mt -72.97 -59.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 10.2 m -58.28 -40.21 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 75.2 p -54.15 -57.58 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.553 ' HG ' ' N ' ' A' ' 546' ' ' ILE . 70.8 p -60.16 -53.37 58.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.391 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . 0.553 ' N ' ' HG ' ' A' ' 545' ' ' SER . 0.6 OUTLIER -51.26 -37.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.09 -39.6 60.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.461 ' OD2' ' O ' ' B' ' 71' ' ' LEU . 76.8 m-20 -48.63 -36.15 15.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.222 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 553' ' ' ARG . 4.4 m120 -77.84 -58.29 3.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -40.36 -36.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 37.4 mt -91.01 -77.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.6 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.12 -43.54 98.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.859 ' O ' ' C ' ' A' ' 554' ' ' THR . 26.6 ttm-85 72.68 -61.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.859 ' C ' ' O ' ' A' ' 553' ' ' ARG . 0.0 OUTLIER 26.77 -123.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 1 N-CA-C 97.718 -4.919 . . . . 0.0 97.718 -179.733 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.673 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 15.36 50.46 0.0 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.751 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -108.82 -2.63 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.717 -179.011 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' ILE . 33.2 mt-10 -33.84 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 556' ' ' ILE . 85.2 mt -137.07 175.85 9.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.353 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.462 ' O ' ' OG1' ' A' ' 560' ' ' THR . 34.6 pttt -176.27 127.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.693 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 m -168.62 68.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.508 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 560' ' ' THR . 36.2 t0 59.68 121.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 24.0 p-90 -179.42 -0.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 11.8 p -70.41 -35.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -60.01 -49.46 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -66.64 -53.08 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 tp -47.73 -56.38 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.87 -29.86 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.38 -59.73 4.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.7 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -53.69 -23.06 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -77.64 -66.59 1.75 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.1 tp -63.92 -20.24 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.3 tp -46.0 -63.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.487 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -80.01 112.65 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.1 ttt -43.98 -80.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 169.43 -174.83 43.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 44.89 73.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -179.79 131.37 1.64 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -68.52 3.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.669 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.444 ' H ' ' C ' ' A' ' 578' ' ' GLY . 21.2 mt-30 -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.57 -36.89 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -54.09 -54.31 41.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 586' ' ' GLU . 16.2 t70 -55.54 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.8 t -40.96 -52.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.43 -33.1 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 583' ' ' ASP . 11.5 tt0 -60.94 -37.92 84.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.506 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.5 OUTLIER -65.45 -51.18 61.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.3 mt -48.37 -31.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.1 t -85.48 -21.82 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.531 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -67.97 -37.06 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 592' ' ' GLU . 2.4 tp -83.23 154.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.511 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 591' ' ' ILE . 94.3 mt-10 -59.48 -127.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.512 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 44.1 75.5 0.64 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.28 -0.62 10.27 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.024 2.483 . . . . 0.0 111.971 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 4.5 ptm -73.21 -10.62 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 44.6 p -79.5 -3.58 47.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 5.9 t -43.3 -45.76 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.93 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.88 -27.67 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -62.97 -50.94 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.22 -34.07 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.88 -69.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.57 -19.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.5 -64.75 2.83 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 m -53.67 -59.48 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.643 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.6 118.79 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 171.85 -174.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 48.3 -130.35 1.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.572 ' HG1' ' N ' ' A' ' 610' ' ' GLY . 53.4 p -48.56 -41.76 31.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.528 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.572 ' N ' ' HG1' ' A' ' 609' ' ' THR . . . 82.47 -88.12 1.45 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 71.4 p -66.4 72.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.696 0 CA-C-O 118.0 -1.445 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.557 ' N ' ' O ' ' B' ' 17' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -105.68 121.15 43.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -124.44 153.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -106.3 143.84 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -123.56 105.75 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.314 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -80.78 158.6 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.713 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.3 p -139.3 143.43 37.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.8 -3.66 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.538 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -94.68 12.11 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.03 72.38 0.85 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -170.38 140.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 110.611 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -124.44 113.72 18.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.422 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -98.21 133.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.8 m -101.64 119.46 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.234 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.13 135.04 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -90.57 93.14 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.25 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.1 m -115.35 -166.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.441 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.5 mt-10 -136.93 177.71 2.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.037 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.16 -24.43 12.58 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.81 2.34 . . . . 0.0 112.35 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -89.1 -11.03 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.1 m-20 -60.16 141.52 55.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.666 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 67.3 p -92.29 147.46 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.66 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mm -50.0 -48.82 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.367 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -50.78 -41.02 56.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.335 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.527 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 14.2 t-20 -62.28 -43.97 97.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.331 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.25 -48.45 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -53.62 -44.09 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.226 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.12 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.6 mttp -56.06 -43.93 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.216 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.27 -44.64 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.358 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.06 -42.57 89.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.474 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -69.85 -66.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.57 -110.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.06 25.65 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.563 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 49.8 mt -95.42 115.51 65.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.61 0.243 . . . . 0.0 110.511 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.04 137.94 12.9 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.65 2.233 . . . . 0.0 111.814 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -52.87 6.73 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.745 2.296 . . . . 0.0 112.036 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -70.1 38.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.534 ' H ' ' C ' ' B' ' 38' ' ' PRO . 52.9 mt-30 -158.11 40.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.563 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 33.2 mt-30 -146.02 110.82 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.819 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -89.93 108.18 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.1 121.82 39.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.939 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.408 HD13 HG22 ' B' ' 44' ' ' ILE . 60.7 mt -124.47 139.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.17 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' B' ' 47' ' ' GLY . 84.9 t80 -153.6 116.8 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 47' ' ' GLY . . . 38.15 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.762 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -35.97 -75.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.441 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 40.4 tttt -174.87 -141.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.902 0.382 . . . . 0.0 110.55 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.441 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 18.4 tt0 -87.52 130.62 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.328 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.69 119.47 23.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.631 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -71.04 159.85 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -83.72 101.25 11.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.52 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 150.68 -63.27 0.4 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.67 ' HE ' ' N ' ' B' ' 54' ' ' ARG . 3.9 mmp_? -46.92 176.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.559 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.447 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 53.5 p -111.38 176.86 4.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.23 3.15 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.734 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.447 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 20.7 p -92.29 -38.99 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -58.57 -29.44 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -95.48 8.66 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.446 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER 52.16 28.07 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.71 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.09 104.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.99 -157.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -88.17 157.55 18.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.744 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.78 29.76 16.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -88.38 128.74 35.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.6 m -88.9 110.55 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' B' ' 67' ' ' LEU . 6.7 mp -92.93 112.12 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.474 ' NE2' ' OD2' ' A' ' 583' ' ' ASP . 14.6 m80 -69.62 112.98 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 6.4 tt -102.58 125.77 49.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.43 ' N ' HD23 ' B' ' 69' ' ' LEU . 29.2 t -124.56 162.8 25.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.461 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 5.0 mp -130.0 138.98 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' B' ' 74' ' ' ARG . 91.7 mtt180 -61.02 -171.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.642 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 2.0 mm? -65.55 69.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.509 HH22 ' CG ' ' A' ' 541' ' ' ASP . 33.4 ttp85 -65.5 -1.44 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' B' ' 73' ' ' LEU . . . 56.96 -142.69 41.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.027 -1.43 . . . . 0.0 110.983 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.572 ' N ' ' O ' ' C' ' 17' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -82.21 117.64 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 pt -120.62 150.86 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.518 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.49 95.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.251 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -79.63 123.15 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.541 ' O ' ' N ' ' C' ' 9' ' ' THR . 74.9 p -70.63 150.1 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.211 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' C' ' 7' ' ' THR . 16.1 tp -36.14 -28.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.541 ' N ' ' O ' ' C' ' 7' ' ' THR . 0.0 OUTLIER 167.87 73.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.489 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.01 -75.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.565 ' CG ' ' N ' ' C' ' 12' ' ' THR . 24.1 tttp -140.83 162.71 34.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.68 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' THR . . . . . 0.565 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 88.2 m -114.95 113.89 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.392 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.34 154.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -122.53 109.21 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' C' ' 15' ' ' LEU . 10.6 mp -111.23 140.12 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.929 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -93.49 121.87 35.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.103 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' C' ' 1' ' ' MET . 3.7 m -144.49 -175.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.958 0.409 . . . . 0.0 110.944 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.534 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 34.8 mt-10 -132.2 147.45 65.8 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.134 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -30.43 7.28 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.969 2.446 . . . . 0.0 112.55 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -82.16 -12.29 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.118 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 21.1 m-20 -59.37 141.97 53.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.919 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -90.26 144.17 26.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.582 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -47.58 -55.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -46.31 -41.52 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.366 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.484 ' C ' HD21 ' C' ' 25' ' ' ASN . 0.1 OUTLIER -61.04 -42.04 97.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.235 179.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.32 -46.02 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.151 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -54.47 -41.32 69.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.123 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.04 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.17 -38.7 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.226 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.67 -40.69 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.328 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.452 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 34.1 tp60 -58.76 -38.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.344 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.97 -35.16 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.45 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -92.63 -108.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.98 19.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 40.0 mt -89.36 107.68 19.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.495 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.14 143.42 4.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.652 2.234 . . . . 0.0 111.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.93 -58.24 1.76 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.767 2.312 . . . . 0.0 112.012 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -48.72 -32.46 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.679 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -92.94 53.89 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 54.7 mt-30 -156.57 147.99 22.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.61 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.504 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 2.4 tpt180 -144.87 106.78 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.15 118.64 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 41.3 mt -120.58 123.98 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 50.4 t80 -140.87 154.91 46.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 44.04 42.7 5.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.67 46.2 59.55 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -159.73 135.24 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.644 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.504 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 34.2 tt0 -76.67 136.02 39.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.81 122.9 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -80.5 158.35 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 165.51 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.96 -64.35 4.25 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -46.25 168.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.6 p -111.29 171.12 7.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 62.3 mt -67.01 -14.52 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.487 ' C ' ' H ' ' C' ' 59' ' ' TYR . 83.6 p -77.31 -29.74 53.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' C' ' 58' ' ' ASP . 1.5 m-20 -74.01 15.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.692 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' C' ' 57' ' ' SER . 89.8 m-85 -144.97 20.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 11.7 p30 43.14 36.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -81.6 97.3 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.353 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -82.18 -168.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.714 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.3 160.2 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 56.61 35.15 25.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.734 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -91.95 135.79 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -88.92 112.29 23.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.89 112.42 24.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -73.22 102.09 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.17 117.04 22.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.54 121.84 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.461 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.93 144.34 36.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -112.17 47.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 mt -70.35 78.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -131.95 152.93 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.29 91.9 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.765 0 CA-C-O 118.033 -1.426 . . . . 0.0 110.961 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 7.4 p30 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 17.9 p -51.77 161.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.567 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -71.43 164.57 25.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.03 -12.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.592 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 17.4 t -54.16 -39.73 66.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 29.4 t -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.0 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -60.72 -69.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 490' ' ' ILE . 10.1 mm -55.76 -25.28 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.46 -67.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.4 -48.45 85.94 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 1.9 tp -60.77 -31.76 71.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.537 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -58.46 -55.34 31.29 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.9 tt -78.52 -7.23 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 0.0 110.684 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -69.13 -67.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 1.6 p90 -79.34 28.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -54.17 -59.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.517 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -101.55 66.57 0.45 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 68.9 p -156.17 77.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -86.5 57.48 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -94.94 177.4 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.75 3.6 40.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.527 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 32.1 tt0 -89.1 -57.02 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 31.9 t -41.09 -47.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.631 ' C ' ' H ' ' A' ' 508' ' ' LEU . 64.7 mt -72.41 -51.63 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -50.67 -3.69 0.05 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.631 ' H ' ' C ' ' A' ' 506' ' ' LEU . 9.5 tp -121.0 -56.71 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.78 -33.76 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.553 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.0 tp -62.13 -62.35 5.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.778 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.598 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -46.51 -55.45 3.76 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.419 2.079 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.94 -21.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.398 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -85.24 -23.74 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -169.65 59.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.657 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.1 p -74.28 -6.68 49.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.413 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 73' ' ' LEU . 0.2 OUTLIER 73.6 46.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.541 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.41 ' OD1' ' OG ' ' A' ' 515' ' ' SER . 9.8 p-10 -171.33 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 519' ' ' PRO . 19.3 mt -91.41 143.51 28.3 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.488 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -46.54 -173.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.754 2.302 . . . . 0.0 112.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 7.9 mt -97.92 -21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -51.63 -93.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.5 p -41.3 -43.97 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.654 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.88 -53.59 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.24 -36.87 53.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.2 tpt -63.21 -51.54 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.47 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.496 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -60.85 -58.59 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.454 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.34 -55.0 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.0 -37.59 6.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.43 -41.58 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.467 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.45 -46.28 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.553 ' C ' ' H ' ' A' ' 535' ' ' VAL . 60.7 t -67.37 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.654 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.39 26.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.7 p -48.57 -30.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.51 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.57 -101.5 0.47 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.21 121.23 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.547 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 573' ' ' LEU . 94.1 m -96.71 127.82 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.481 ' CG ' ' H ' ' A' ' 540' ' ' GLY . 9.4 t-20 -84.21 -178.21 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.481 ' H ' ' CG ' ' A' ' 539' ' ' ASN . . . -98.01 -55.8 1.11 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.488 ' O ' ' OG1' ' A' ' 544' ' ' THR . 63.8 m-20 -42.88 -31.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.39 -46.37 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.5 m -70.44 -23.55 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 32.9 p -69.08 -54.25 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 63.0 p -63.12 -51.28 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.223 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -50.4 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.315 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 81.2 mmm -61.57 -49.17 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -46.59 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.249 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 553' ' ' ARG . 31.9 t-20 -54.3 -60.21 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.184 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -45.8 -34.31 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.358 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 42.1 mt -83.08 -77.18 0.25 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.523 ' CG ' HH12 ' B' ' 42' ' ' ARG . 27.1 mt-10 -55.17 -43.34 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.1 OUTLIER 71.01 -23.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.896 ' C ' ' H ' ' A' ' 556' ' ' ILE . 99.1 m -28.09 -40.65 0.02 OUTLIER 'General case' 0 C--N 1.26 -3.29 0 CA-C-O 125.327 2.489 . . . . 0.0 111.002 -162.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.747 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . -45.64 3.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 112.712 -2.04 . . . . 0.0 109.56 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.896 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -42.66 -3.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.286 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.744 ' H ' ' C ' ' A' ' 555' ' ' ALA . 33.9 mt-10 -78.49 70.22 4.81 Favored 'General case' 0 CA--C 1.547 0.849 1 N-CA-C 98.972 -4.455 . . . . 0.0 98.972 -175.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.504 HD21 ' H ' ' A' ' 558' ' ' LEU . 1.4 pt? -110.14 -179.85 3.9 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.444 ' N ' ' HG ' ' A' ' 558' ' ' LEU . 56.6 tttm -145.91 -11.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.5 p -148.14 -137.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.657 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -78.16 166.81 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 8.1 p90 -171.38 -45.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.609 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.8 p -49.99 -24.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -72.3 -74.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -55.14 -48.19 74.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 tp -49.77 -56.76 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.54 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.72 75.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.3 tp -45.79 -43.53 13.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.43 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.22 -4.15 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -86.58 -61.34 1.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.3 tt -76.64 -14.8 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.472 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 19.9 tp -43.21 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -64.12 121.24 13.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.582 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 1.0 OUTLIER -80.36 -67.14 0.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.582 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -73.72 63.93 1.89 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -49.74 144.13 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.594 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 162.36 -133.63 3.18 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -57.42 -23.21 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -58.84 -51.24 70.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.54 -34.57 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.89 -42.81 80.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -65.97 -41.35 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -50.68 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.72 -47.95 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -49.1 -44.68 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 1.3 m -64.91 -49.54 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.27 -21.06 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.518 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 48.8 m -90.09 -25.9 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.25 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 2.3 tp -87.67 156.83 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.551 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -70.09 -114.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 595' ' ' MET . 36.4 m80 41.15 53.03 6.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.49 -10.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.019 2.48 . . . . 0.0 112.02 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 593' ' ' HIS . 10.7 mmt -76.69 -12.27 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 59.8 p -81.89 -9.99 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 9.9 t -45.79 -42.74 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.07 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.96 -47.36 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.626 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -53.24 -46.91 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . 0.421 ' O ' ' OG ' ' A' ' 605' ' ' SER . 45.9 t -63.1 -26.18 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 2.1 tt -76.84 -71.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.05 -33.59 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.17 -49.33 62.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 601' ' ' VAL . 36.6 m -52.09 -51.57 56.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.23 118.41 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 179.67 176.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 46.3 87.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.537 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.431 ' HG1' ' H ' ' A' ' 610' ' ' GLY . 10.6 t -156.29 -158.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 612' ' ' GLY . . . 47.86 -173.01 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 7.7 p -63.03 -0.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 118.051 -1.416 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.495 ' HG3' ' H2 ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -86.09 112.78 21.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 pt -102.82 150.63 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.697 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -103.43 142.15 34.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.32 106.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.383 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -96.33 122.99 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.528 ' C ' ' H ' ' B' ' 9' ' ' THR . 80.9 p -85.03 157.11 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.08 2.25 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.528 ' H ' ' C ' ' B' ' 7' ' ' THR . 30.6 p -93.61 -45.73 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.5 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.67 5.63 1.93 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.464 ' HZ1' ' CD ' ' B' ' 34' ' ' GLU . 83.0 tttt -97.46 137.42 36.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -111.84 146.86 36.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.76 129.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.687 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -97.25 128.77 44.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -130.77 132.35 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.15 114.31 21.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.301 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.416 ' CG2' ' SD ' ' B' ' 1' ' ' MET . 5.4 m -137.23 -174.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.522 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 84.9 mt-10 -142.6 147.4 42.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.251 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.76 -10.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.744 2.296 . . . . 0.0 112.216 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.514 ' H ' ' C ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -106.28 15.96 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 3.3 m-20 -89.63 133.36 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.433 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.1 p -82.13 134.61 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.413 HG22 HD11 ' B' ' 23' ' ' ILE . 30.1 mm -41.81 -50.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -51.3 -39.5 57.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.321 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 22' ' ' THR . 0.5 OUTLIER -63.03 -42.77 99.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.286 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.11 -51.97 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.354 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -50.51 -42.49 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.297 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.35 89.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -56.83 -41.41 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 mt -63.2 -48.04 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.486 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -54.78 -32.69 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 38.5 t0 -74.9 -26.74 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -81.98 -64.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.464 ' CD ' ' HZ1' ' B' ' 11' ' ' LYS . 14.1 mm-40 -84.8 -106.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.03 13.43 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 53.3 mt -83.44 127.91 66.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.552 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.38 141.58 32.04 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.632 2.221 . . . . 0.0 111.94 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.669 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.63 -50.97 9.69 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.797 2.332 . . . . 0.0 112.028 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.76 9.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.669 ' H ' ' C ' ' B' ' 38' ' ' PRO . 12.3 mt-30 -143.83 54.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -147.32 129.78 15.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.523 HH12 ' CG ' ' A' ' 552' ' ' GLU . 20.6 ttm180 -125.54 109.73 13.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.421 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -98.95 125.17 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -124.78 139.97 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.375 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.59 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 80.4 t80 -130.25 176.96 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.59 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -38.58 -28.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -86.15 -92.06 0.89 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -146.74 -144.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.376 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -91.83 135.73 33.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -83.98 129.22 34.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.604 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -93.02 159.02 15.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -67.23 162.2 23.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.03 -68.14 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.8 mmt180 -41.37 166.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.586 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -115.22 162.81 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.5 mt -55.08 -40.74 70.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.423 ' C ' ' H ' ' B' ' 59' ' ' TYR . 5.6 p -56.22 -24.12 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.543 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 6.0 m-20 -80.86 26.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 78.8 m-85 -155.41 8.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.626 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 55.59 26.83 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.708 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.95 95.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.414 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -67.47 -156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -90.87 159.15 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.769 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 56.72 28.48 14.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -80.57 132.12 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -89.48 109.4 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.27 125.37 41.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.531 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 105.0 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.43 HD11 ' H ' ' B' ' 70' ' ' VAL . 48.3 tp -96.51 134.62 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.43 ' H ' HD11 ' B' ' 69' ' ' LEU . 16.3 t -133.2 152.29 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 8.9 mp -89.04 166.83 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.505 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 35.1 ttt180 -67.31 167.33 12.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.477 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 6.8 tp -75.88 60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -88.32 -171.9 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 -115.17 4.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.939 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.453 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.67 104.0 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.9 pt -101.67 147.84 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . 0.443 ' CE1' ' OG1' ' C' ' 14' ' ' THR . 71.4 m-85 -104.9 139.4 39.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.785 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.68 96.06 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . 0.527 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 32.2 ttmt -80.03 118.94 22.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.608 ' HG1' ' N ' ' C' ' 10' ' ' GLY . 56.2 p -77.19 142.63 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.173 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' C' ' 7' ' ' THR . 14.3 tp -39.25 -49.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.528 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 31.5 p -156.75 68.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . 0.608 ' N ' ' HG1' ' C' ' 7' ' ' THR . . . -152.77 -82.66 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.57 ' N ' ' OG1' ' C' ' 7' ' ' THR . 0.1 OUTLIER -155.88 167.1 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.657 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' THR . . . . . 0.568 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 24.5 m -107.59 102.44 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.37 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -76.23 164.13 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' THR . . . . . 0.443 ' OG1' ' CE1' ' C' ' 4' ' ' PHE . 2.1 m -136.95 121.55 18.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.31 172.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mt -130.21 141.82 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.847 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -86.86 116.6 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.2 m -130.53 178.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.708 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.56 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 12.4 mt-10 -131.19 144.45 53.55 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.371 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -11.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.83 2.353 . . . . 0.0 112.244 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.8 OUTLIER -96.97 -23.31 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.723 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.56 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -49.14 140.38 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.481 ' HG1' ' H ' ' C' ' 25' ' ' ASN . 4.2 p -95.78 137.07 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.98 -47.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.465 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -50.36 -49.92 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.292 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.481 ' H ' ' HG1' ' C' ' 22' ' ' THR . 2.9 m-20 -56.27 -44.05 79.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.271 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.84 -54.93 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.179 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 79.8 mttt -49.26 -38.19 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.38 86.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.408 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.05 -32.54 71.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -70.05 -38.86 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -65.07 -35.93 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.22 -21.34 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -85.16 -60.2 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -89.26 -82.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.25 1.31 0.06 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 55.9 mt -73.84 133.65 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.497 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -74.12 142.03 30.26 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.671 2.247 . . . . 0.0 111.898 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.617 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.25 -46.43 16.7 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.773 2.315 . . . . 0.0 112.008 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.69 27.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.617 ' H ' ' C ' ' C' ' 38' ' ' PRO . 58.4 mt-30 -156.96 42.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.517 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 74.9 mt-30 -147.11 111.05 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.575 ' NE ' ' NE2' ' C' ' 49' ' ' GLN . 2.9 tpt180 -103.47 102.14 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.16 115.74 19.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 67.7 mt -117.59 141.35 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -144.33 118.36 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 31.39 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 4.41 85.25 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -106.8 117.32 33.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.575 ' NE2' ' NE ' ' C' ' 42' ' ' ARG . 35.6 tt0 -73.32 130.81 40.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.48 140.03 30.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -92.8 159.05 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.43 162.75 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.67 -52.99 4.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -53.29 153.05 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 14.3 p -92.85 164.47 13.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.8 -37.25 83.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.709 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.422 ' C ' ' H ' ' C' ' 59' ' ' TYR . 19.8 p -57.1 -23.82 49.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.658 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.53 20.02 0.59 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.422 ' H ' ' C ' ' C' ' 57' ' ' SER . 79.8 m-85 -148.75 10.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.508 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 55.54 25.81 8.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.5 mt -74.32 93.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.493 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -73.03 -156.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.68 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -91.09 162.6 14.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.763 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 58.19 18.22 5.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.733 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.9 m -69.24 170.18 10.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -126.97 94.96 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.593 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.29 119.99 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -79.83 100.09 7.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.15 101.46 9.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.449 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -101.72 128.67 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.69 159.44 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -100.49 31.9 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 35.9 tp -44.1 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -156.05 109.6 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.605 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 43.72 26.55 0.76 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.994 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 484' ' ' LYS . 17.6 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 3.6 t -52.34 -11.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 482' ' ' ASP . 44.2 mttp -63.3 93.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.571 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 4.6 tp -44.94 -26.15 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 49.3 m -56.73 -56.32 23.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.9 t -45.78 -68.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -45.16 -38.26 5.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.623 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.91 -73.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 21.5 mm -53.36 -16.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.5 -79.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.456 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.54 -45.56 53.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.21 -22.93 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -62.06 -41.82 99.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 93.4 mt -87.4 -13.72 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.54 76.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.506 ' C ' ' H ' ' A' ' 499' ' ' GLY . 63.3 m-85 -44.16 -35.51 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.1 -12.07 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -79.83 93.43 1.38 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 2.0 m 64.94 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -78.28 54.67 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -77.91 -170.5 1.92 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 15.34 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -87.66 -52.56 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.288 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 50.0 t -43.6 -40.01 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.336 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.541 ' C ' ' H ' ' A' ' 508' ' ' LEU . 16.0 mt -77.23 -48.52 17.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.08 -9.6 0.12 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' A' ' 506' ' ' LEU . 38.8 mt -109.72 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.775 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.41 -36.51 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.3 mt -58.58 -66.01 1.63 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.3 -63.51 0.32 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.644 2.229 . . . . 0.0 111.824 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 64.9 mt -51.91 -19.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -98.61 -26.52 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -157.61 62.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.0 p -103.98 -0.38 28.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.374 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 515' ' ' SER . 63.4 p 50.39 37.07 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -145.6 9.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 519' ' ' PRO . 0.3 OUTLIER -164.71 154.27 11.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.637 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.464 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.49 -178.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.96 2.44 . . . . 0.0 111.944 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.412 ' H ' ' CD1' ' A' ' 558' ' ' LEU . 14.0 pt -139.51 40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.67 -47.92 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 85.0 m -84.84 -19.78 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.18 -47.13 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.04 -54.65 40.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.0 mtt -54.62 -45.81 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -60.36 -47.07 87.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 m -44.96 -49.87 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.5 tp -57.91 -59.57 5.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.86 -34.39 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.86 -31.05 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.384 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 528' ' ' LEU . . . -73.26 -53.43 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . 0.488 ' N ' ' HD1' ' A' ' 532' ' ' HIS . 0.3 OUTLIER -49.58 -47.15 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.663 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.9 t -64.08 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -73.7 25.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -50.84 -42.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -84.13 -56.33 2.59 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 40.8 p -69.57 -169.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 24.0 p -167.65 170.04 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -158.52 163.22 37.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -89.83 -46.44 4.23 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -31.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.719 0.295 . . . . 0.0 110.592 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 92.1 mt -70.26 -74.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.7 m -43.42 -46.89 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.486 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.559 ' HG1' ' H ' ' A' ' 545' ' ' SER . 20.6 p -47.82 -58.36 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.559 ' H ' ' HG1' ' A' ' 544' ' ' THR . 74.1 p -58.48 -59.42 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.31 -32.06 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.284 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 549' ' ' ASN . 7.1 tpt -75.68 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER -42.92 -24.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.413 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 553' ' ' ARG . 77.1 m-20 -79.95 -53.82 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -49.44 -34.23 16.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.532 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 7.3 mp -85.11 -77.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.04 -43.17 75.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.701 ' O ' ' N ' ' A' ' 555' ' ' ALA . 6.1 ttm180 72.42 -69.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.729 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 38.09 -56.1 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.224 1 C-N-CA 136.215 5.806 . . . . 0.0 104.506 -177.447 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -37.25 -18.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.244 0.545 . . . . 0.0 109.777 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.729 ' N ' ' O ' ' A' ' 554' ' ' THR 0.268 0.8 OUTLIER -4.36 -43.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 161.568 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.731 ' N ' ' O ' ' A' ' 555' ' ' ALA . 14.7 mm-40 5.12 -64.06 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.64 167.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' A' ' 556' ' ' ILE . 20.5 mt -104.27 163.88 12.11 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -141.48 -170.92 3.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 2.9 m 68.45 108.42 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 59.66 104.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.8 p90 -172.88 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.627 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.6 p -71.1 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -52.76 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -52.0 -48.47 64.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.5 tp -49.55 -40.96 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -59.54 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 14.8 mt -46.48 -44.45 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -55.65 -69.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -43.44 -24.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.63 -73.6 1.13 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.4 mm -64.44 -5.46 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.462 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 569' ' ' ALA . 32.2 tp -43.23 -67.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -81.64 -155.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.2 tpt -165.94 142.09 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 52.38 -169.34 0.65 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 50.74 -162.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -173.42 -31.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -43.7 -47.96 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.528 ' H ' ' NE2' ' A' ' 580' ' ' GLN . 3.9 mp0 -57.67 -47.89 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.64 -53.55 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 12.7 m-20 -47.27 -38.98 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.477 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.88 -54.78 40.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 41.2 t -52.21 -62.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 10.9 mp -46.67 -49.3 19.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -44.53 -42.2 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -49.89 72.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 64.9 mt -46.08 -47.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -60.52 -30.86 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.45 -62.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 591' ' ' ILE . 23.7 mm -78.01 81.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 55.08 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 0.1 OUTLIER -163.67 76.82 1.71 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.18 -167.76 0.46 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.96 2.44 . . . . 0.0 111.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.502 ' C ' ' H ' ' A' ' 597' ' ' SER . 15.9 ptt? -47.39 -13.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 594' ' ' PRO . 5.6 m -48.39 -11.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 595' ' ' MET . 67.7 m -48.06 -42.77 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.73 -42.88 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.47 -48.71 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -45.95 -50.43 14.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.33 -50.42 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.32 -63.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.41 -18.52 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -75.51 -71.75 1.12 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 64.8 m -43.82 -37.74 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.9 t -78.87 127.75 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -174.37 160.82 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 610' ' ' GLY . 88.2 m-85 45.88 37.2 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 82.8 p -46.25 91.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . 61.72 119.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 2.9 t -55.39 147.68 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.289 . . . . 0.0 110.6 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.759 0 CA-C-O 117.96 -1.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.514 ' N ' ' O ' ' B' ' 17' ' ' VAL . 23.3 ttp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.53 115.84 22.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 pt -117.97 154.57 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.75 142.24 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.632 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.48 105.63 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -88.4 127.18 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.51 ' C ' ' H ' ' B' ' 9' ' ' THR . 34.8 p -93.03 152.26 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.454 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.09 9.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.557 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.51 ' H ' ' C ' ' B' ' 7' ' ' THR . 23.8 p -98.55 -43.93 6.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.75 24.94 0.57 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -125.35 136.42 53.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -112.45 125.68 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mt -107.55 132.1 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.7 m -101.76 113.37 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.28 166.9 10.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -121.96 102.55 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' B' ' 1' ' ' MET . 8.5 m -127.18 -163.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.456 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.0 OUTLIER -140.46 178.12 1.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.097 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -75.19 -27.54 9.64 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.803 2.335 . . . . 0.0 112.142 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.79 18.28 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.739 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.39 136.94 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.433 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 3.6 p -85.86 144.78 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.51 -41.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.88 -43.62 77.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.433 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 7.5 m120 -62.37 -38.96 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.36 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.49 -54.56 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -50.32 -41.69 51.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.239 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.09 92.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.65 -38.13 77.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 mt -65.32 -42.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.306 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.78 -41.7 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.25 -28.62 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.364 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -75.6 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.49 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -97.59 -99.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.82 29.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.441 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 74.9 mt -101.0 101.9 17.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.655 0.264 . . . . 0.0 110.533 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.38 140.12 8.66 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -63.13 0.35 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.733 2.288 . . . . 0.0 112.056 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 15.2 t70 -37.97 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' B' ' 38' ' ' PRO . 14.1 mm100 -103.95 64.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -157.27 150.7 23.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.447 ' HE ' ' HB ' ' B' ' 70' ' ' VAL . 45.5 ttp180 -141.68 103.43 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.6 mt -97.37 129.71 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -135.36 145.25 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 87.3 t80 -130.78 170.28 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.557 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.87 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.49 -71.38 1.28 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -172.4 -156.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.39 130.03 35.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.17 127.27 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -76.64 159.01 30.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.97 64.47 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . -174.95 -57.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.7 mmt85 -47.13 176.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.447 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 33.0 p -115.41 167.3 10.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.75 -13.17 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.447 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 17.0 p -81.01 -28.46 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.44 -37.8 83.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -86.99 14.9 6.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 49.07 37.1 9.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.4 mt -82.7 107.39 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -84.34 -156.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.763 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -86.39 159.67 19.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 55.94 37.07 28.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.703 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.9 m -100.14 136.43 40.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -88.5 137.86 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -126.21 119.83 28.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -70.91 132.61 45.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.488 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 5.9 tt -124.06 119.63 30.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.447 ' HB ' ' HE ' ' B' ' 42' ' ' ARG . 3.3 t -124.28 153.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.603 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 22.0 mt -120.43 148.67 43.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.5 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 71' ' ' LEU . 72.6 mtp180 -44.87 172.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.28 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.579 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 3.5 mm? -41.26 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.469 ' NH2' ' CA ' ' C' ' 47' ' ' GLY . 45.9 ttt-85 61.24 136.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.31 156.77 21.89 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.792 0 CA-C-O 118.056 -1.413 . . . . 0.0 110.964 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.546 ' N ' ' O ' ' C' ' 17' ' ' VAL . 21.9 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.25 112.92 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 pt -115.62 148.42 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.642 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -102.18 148.21 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' C' ' 13' ' ' ILE . 77.4 t -124.83 95.41 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.171 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -83.43 130.5 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.925 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.601 ' HG1' ' N ' ' C' ' 11' ' ' LYS . 67.8 p -92.06 147.29 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' C' ' 7' ' ' THR . 87.9 mt -32.11 -49.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.612 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 23.8 p -157.52 22.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.408 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . 0.528 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -96.46 -106.01 2.26 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.601 ' N ' ' HG1' ' C' ' 7' ' ' THR . 27.0 mtpt -129.9 172.28 11.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 83.0 m -111.08 82.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.211 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -68.43 139.77 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 17.2 m -112.81 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -109.35 161.59 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.75 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -114.97 106.97 14.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.4 m -131.18 -162.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.781 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.43 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 2.2 mt-10 -140.27 176.45 2.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.076 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.39 -25.41 11.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.735 2.29 . . . . 0.0 112.213 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.59 -1.53 58.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.764 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.49 141.85 50.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -88.66 141.25 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.74 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.433 HG21 HD12 ' C' ' 23' ' ' ILE . 22.8 mm -45.89 -56.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.41 -42.16 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' C' ' 29' ' ' LYS . 8.5 t-20 -61.25 -46.66 89.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.122 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.0 -50.34 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.156 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -53.97 -32.95 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.19 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.97 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.281 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' C' ' 25' ' ' ASN . 51.3 mttp -57.07 -38.79 73.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.342 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 mt -65.12 -38.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -62.69 -39.55 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -69.59 -23.65 63.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -81.93 -60.37 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -89.56 -93.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.67 23.48 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.577 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 34.5 mt -96.1 101.73 9.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.698 0.285 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.96 140.92 6.62 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.697 2.265 . . . . 0.0 111.825 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.19 -36.55 17.01 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.796 2.331 . . . . 0.0 111.954 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -76.28 19.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.68 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' C' ' 38' ' ' PRO . 40.9 mm-40 -143.55 -1.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 86.2 mt-30 -98.26 145.99 26.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.61 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 8.7 ttt180 -143.99 101.18 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.4 113.93 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.65 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 mt -113.03 133.83 57.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.443 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -144.89 138.4 26.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.548 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.95 22.96 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.469 ' CA ' ' NH2' ' B' ' 74' ' ' ARG . . . 84.18 -7.39 71.74 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -100.57 128.18 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.526 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 24.0 tt0 -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.04 115.94 21.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . 0.411 ' H ' ' HH ' ' C' ' 59' ' ' TYR . 38.0 mt-10 -78.04 158.37 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.96 165.24 24.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.26 -31.73 4.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.35 178.56 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 62.4 p -122.42 165.05 16.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.25 -4.8 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.51 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 7.5 t -90.76 -21.3 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' C' ' 58' ' ' ASP . 1.7 m-20 -81.62 13.05 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.411 ' HH ' ' H ' ' C' ' 51' ' ' GLU . 81.2 m-85 -139.52 9.14 2.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.587 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 m120 56.37 23.26 7.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.7 mt -69.8 91.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.397 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.6 -160.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -80.61 156.13 26.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.679 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 62.45 33.48 16.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.764 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 38.6 m -90.25 132.04 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.469 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.99 108.68 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -97.39 119.7 36.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -77.29 103.69 7.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 tp -79.14 111.12 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.485 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -118.8 127.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.513 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' C' ' 71' ' ' LEU . 9.7 mp -73.54 165.11 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -130.27 37.98 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.8 94.83 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.492 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -159.61 72.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.637 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.13 126.63 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.734 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.936 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 51.3 p -67.86 168.9 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.548 ' C ' ' H ' ' A' ' 486' ' ' SER . 41.0 mttp -78.98 116.73 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.573 ' CD1' ' N ' ' A' ' 485' ' ' ILE . 0.1 OUTLIER -60.54 0.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.634 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.548 ' H ' ' C ' ' A' ' 484' ' ' LYS . 24.3 p -75.2 -35.38 61.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.538 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 24.0 t -66.52 -51.82 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -57.21 -35.66 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -58.2 -59.46 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.02 -31.3 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 7.5 tp -54.83 -70.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.31 -36.26 57.19 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 7.2 tp -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.402 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.28 96.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.9 mm -77.12 -8.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.77 -70.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 48.9 p90 -81.27 25.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -51.04 -64.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.01 83.86 0.85 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 28.2 t -155.4 -62.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm 54.8 75.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 44.2 t30 -119.14 -176.07 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.522 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.1 p30 -88.5 -2.65 58.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -88.75 -53.31 4.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.406 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.4 t -40.67 -43.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 508' ' ' LEU . 39.3 mt -77.64 -48.6 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.548 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.25 -6.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.579 ' H ' ' C ' ' A' ' 506' ' ' LEU . 4.2 tp -118.0 -55.87 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -39.76 95.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.538 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.5 tp -56.85 -62.1 5.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.82 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.575 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.97 -62.49 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.383 2.055 . . . . 0.0 111.591 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 83.1 mt -44.76 -25.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.31 -46.01 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -148.47 54.46 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.0 OUTLIER -79.69 14.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.488 ' HG1' ' NH1' ' C' ' 42' ' ' ARG . 68.8 p 51.32 57.18 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.595 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 518' ' ' LEU . 55.6 t0 -166.38 -111.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.632 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 519' ' ' PRO . 0.3 OUTLIER -35.86 154.3 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.77 -175.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.894 2.396 . . . . 0.0 112.021 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.8 pt -119.95 24.1 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.71 -62.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.9 m -68.66 -23.31 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.09 3.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -69.72 -57.82 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.1 mtt -57.98 -46.32 85.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.47 -49.01 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.8 m -64.4 -19.68 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.8 tt -70.88 -66.75 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -55.01 -30.41 59.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.406 ' C ' ' CD2' ' A' ' 530' ' ' LEU . 2.3 tt -61.65 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.47 -28.93 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.22 -58.31 7.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.31 -45.32 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.94 23.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 531' ' ' ALA . 10.4 p -61.78 -36.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -64.18 -100.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.2 t -59.01 -168.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.599 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.505 ' N ' ' OG1' ' A' ' 537' ' ' THR . 84.4 m -148.39 179.43 7.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -156.65 175.73 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -93.52 -52.88 1.92 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -41.58 -59.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.09 -51.37 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 544' ' ' THR . 7.4 m -62.85 -72.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 543' ' ' THR . 45.7 p -22.44 -56.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.821 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 p -59.83 -56.92 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -51.07 -51.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.41 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.3 tpt -55.45 -44.33 76.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -56.93 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 553' ' ' ARG . 6.9 m120 -54.3 -55.64 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -41.71 -38.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.98 -73.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.603 ' CD ' HH22 ' B' ' 42' ' ' ARG . 59.5 mm-40 -47.34 -54.7 10.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.728 ' O ' ' N ' ' A' ' 555' ' ' ALA . 8.4 mmt-85 85.48 -73.63 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 1 N-CA-C 99.944 -4.095 . . . . 0.0 99.944 165.803 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.735 ' O ' ' N ' ' A' ' 556' ' ' ILE . 93.9 m 15.03 -72.3 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.204 -1.56 . . . . 0.0 109.705 168.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -24.31 -30.56 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.878 -0.729 . . . . 0.0 111.185 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -9.41 -40.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 165.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 555' ' ' ALA . 19.0 mm-40 6.45 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.74 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.725 ' N ' ' O ' ' A' ' 556' ' ' ILE . 1.3 tt -130.22 105.84 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -76.05 -115.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.439 ' CG2' ' H ' ' A' ' 561' ' ' ASP . 1.1 m 60.73 -143.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.439 ' H ' ' CG2' ' A' ' 560' ' ' THR . 30.6 t0 -59.76 92.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -173.52 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.47 -30.56 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 67.3 ttt-85 -73.95 -71.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -45.43 -55.35 6.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 55.0 tp -46.34 -49.9 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.11 -55.05 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.17 -44.51 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.19 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.39 -22.48 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -78.39 -69.89 1.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.39 -23.76 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.9 tp -45.33 -60.14 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.32 -177.91 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.599 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 39.1 mtm -114.15 -84.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -174.23 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -46.07 169.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.316 . . . . 0.0 110.595 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.737 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 77.69 32.51 45.74 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 578' ' ' GLY . 25.1 pt-20 34.21 25.03 0.0 OUTLIER 'General case' 0 C--O 1.194 -1.828 0 O-C-N 122.03 -0.688 . . . . 0.0 110.998 172.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.737 ' N ' ' O ' ' A' ' 578' ' ' GLY . 57.8 mt-30 -60.44 -62.15 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 126.033 2.083 . . . . 0.0 110.567 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.69 -39.71 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.528 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -51.0 -40.62 58.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.532 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 10.3 t70 -69.25 -69.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 59.3 t -45.85 -55.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.7 tp -47.06 -38.65 11.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.43 -46.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.549 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.6 m -55.9 -57.75 10.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 75.6 mt -43.01 -40.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 25.1 p -72.6 -31.84 65.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.66 -48.79 58.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.421 ' N ' ' CD1' ' A' ' 591' ' ' ILE . 1.7 mp -89.99 151.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.282 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -38.37 148.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 7.4 p80 -138.61 75.45 37.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.41 -71.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.908 2.405 . . . . 0.0 111.919 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -94.45 -14.78 24.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.57 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 22.2 m -76.24 -21.37 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.7 t -46.36 -25.45 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.44 -42.43 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 83.2 mt -71.96 -22.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.1 -45.94 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.61 -39.97 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 tp -60.4 -73.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -47.41 -27.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.38 -34.55 32.05 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.1 m -59.35 -49.38 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.581 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 15.9 t -86.31 118.98 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.31 -158.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -78.51 179.93 6.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 12.5 t -162.05 -155.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 81.63 -135.99 15.26 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 5.9 m -79.27 54.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.529 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.783 0 CA-C-O 117.911 -1.494 . . . . 0.0 110.883 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.493 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.33 109.54 21.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.629 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -102.01 151.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.699 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.467 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 91.5 m-85 -105.68 149.64 26.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.642 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.82 106.87 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.92 139.8 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -119.41 143.2 47.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.62 -12.38 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -84.03 13.4 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.8 69.73 1.25 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -169.48 131.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.658 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -108.45 128.28 54.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.463 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.89 129.91 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.467 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 3.0 m -106.96 119.26 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.359 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -124.73 141.37 52.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.3 115.38 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.9 m -136.76 170.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.705 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.577 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 26.9 mm-40 -125.4 150.3 67.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.67 -22.34 1.13 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.888 2.392 . . . . 0.0 112.228 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -85.78 -21.54 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.8 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.9 m-20 -50.98 138.88 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.477 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.5 p -95.57 137.29 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' B' ' 22' ' ' THR . 33.9 mm -39.43 -50.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -51.76 -39.56 58.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.338 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 22' ' ' THR . 12.7 t30 -62.87 -45.68 91.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.317 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 t -58.73 -44.19 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -57.01 -42.44 80.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.273 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.33 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.76 -42.61 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.47 -36.16 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.431 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -63.52 -41.38 98.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.1 -26.96 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -79.64 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -85.62 -90.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.82 14.5 0.03 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.469 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 59.7 mt -85.06 110.25 27.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.709 0.29 . . . . 0.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.68 137.26 12.16 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.697 2.265 . . . . 0.0 111.922 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.603 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.69 -41.97 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.802 2.335 . . . . 0.0 111.959 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' B' ' 39' ' ' ASP . 1.4 m-20 -69.69 26.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' B' ' 38' ' ' PRO . 20.3 mt-30 -155.4 53.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.547 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -148.22 146.24 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.603 HH22 ' CD ' ' A' ' 552' ' ' GLU . 14.1 mtp180 -138.66 99.72 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.5 127.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.441 HG21 HD12 ' B' ' 44' ' ' ILE . 33.7 mt -124.76 153.99 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 52.8 t80 -139.05 170.0 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.29 -27.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.07 -88.89 0.73 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -146.93 -146.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -90.87 139.11 31.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.48 131.13 35.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -96.47 159.11 15.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.14 25.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.34 -62.93 4.55 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -43.16 161.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.473 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 27.9 p -110.53 164.97 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.39 -10.88 27.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.53 ' C ' ' H ' ' B' ' 59' ' ' TYR . 79.4 p -82.28 -32.14 29.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.559 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.84 19.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.53 ' H ' ' C ' ' B' ' 57' ' ' SER . 72.3 m-85 -141.15 -2.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 t30 67.33 20.86 9.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.39 113.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -89.69 -157.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.71 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -88.63 159.76 17.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 52.47 31.69 10.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.587 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.9 m -92.42 140.04 29.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -82.47 144.43 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.52 112.51 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.532 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 38.1 m80 -66.86 153.21 44.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.305 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 tp -142.47 118.71 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.732 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 t -117.16 152.17 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -115.77 134.04 55.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' B' ' 74' ' ' ARG . 39.2 ttp180 -45.25 169.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.639 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 3.1 mm? -47.43 92.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' B' ' 72' ' ' ARG . 48.1 ttt-85 -86.8 158.09 19.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.59 -155.4 25.07 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 117.994 -1.448 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.53 ' N ' ' O ' ' C' ' 17' ' ' VAL . 20.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -75.12 112.25 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.09 145.53 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -100.66 130.96 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.8 t -113.13 97.76 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.3 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -82.71 120.65 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.662 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.447 ' O ' ' N ' ' C' ' 9' ' ' THR . 72.6 p -75.75 170.16 16.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.116 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.626 ' O ' ' OG1' ' C' ' 9' ' ' THR . 9.5 tp -67.76 63.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.235 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' C' ' 8' ' ' LEU . 1.7 p 64.76 72.39 0.44 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -170.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.01 -43.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' C' ' 12' ' ' THR . 30.4 tttm 179.47 158.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 110.705 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 8.7 m -113.8 104.84 12.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.68 135.36 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.7 m -104.2 101.47 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 -176.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' C' ' 15' ' ' LEU . 3.7 mm? -96.12 130.22 43.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -90.8 88.8 7.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.152 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.5 m -113.52 -161.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 18.2 mt-10 -148.2 152.85 40.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.275 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -46.82 13.48 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.899 2.399 . . . . 0.0 112.287 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.472 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.29 -47.26 86.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.879 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 2.0 m-20 -33.65 143.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -96.54 149.05 22.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.407 HD12 HG22 ' C' ' 23' ' ' ILE . 23.4 mm -45.91 -55.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -44.42 -47.99 9.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -48.75 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.87 -52.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.228 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -51.5 -31.23 23.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.31 70.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.41 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.25 -34.88 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.29 -42.12 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.0 -34.4 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.488 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' C' ' 32' ' ' ASP . 21.0 t0 -73.62 -33.07 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -74.07 -64.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -83.63 -100.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.51 10.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -81.27 124.55 80.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.65 0.262 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.06 140.48 31.34 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.6 2.2 . . . . 0.0 112.032 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.646 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.5 -50.56 10.2 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.018 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -57.35 3.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.646 ' H ' ' C ' ' C' ' 38' ' ' PRO . 5.2 mt-30 -139.02 43.44 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -132.91 158.31 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.488 ' NH1' ' HG1' ' A' ' 516' ' ' THR . 20.5 ttt180 -152.17 97.67 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -80.62 104.25 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 23.1 mt -108.3 121.3 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.575 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 73.4 t80 -115.64 176.62 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.69 -51.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -88.67 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.451 ' HZ2' ' NE ' ' B' ' 74' ' ' ARG . 38.7 mttm -146.53 -149.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.42 141.34 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.48 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.4 mt -88.44 115.47 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -75.42 158.42 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.08 158.26 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.07 -59.36 3.89 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -48.24 166.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.704 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.1 p -106.78 165.1 11.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.613 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.34 -19.35 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.551 ' C ' ' H ' ' C' ' 59' ' ' TYR . 92.0 p -75.39 -29.22 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . 0.492 ' O ' ' CD2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -73.29 28.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.551 ' H ' ' C ' ' C' ' 57' ' ' SER . 83.1 m-85 -156.16 5.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . 0.545 ' N ' HD21 ' C' ' 60' ' ' ASN . 0.6 OUTLIER 58.35 32.69 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.675 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -81.15 91.54 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -77.32 -157.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -81.85 159.62 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 57.8 31.07 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.66 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -83.11 131.79 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.84 102.67 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.88 121.6 37.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -79.5 102.33 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.37 101.35 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.5 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -104.27 153.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -93.97 156.51 16.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -105.52 -66.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 13.2 mt 49.27 66.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -160.8 -130.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.51 -171.8 14.13 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.762 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.914 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 19.8 m -80.61 -75.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -73.73 117.9 16.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.9 tt -47.79 -24.81 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 487' ' ' SER . 56.6 p -68.0 -60.15 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' SER . . . . . 0.409 ' N ' ' OG ' ' A' ' 486' ' ' SER . 26.8 m -45.89 -33.83 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.81 43.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.72 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.449 HG21 HD13 ' A' ' 490' ' ' ILE . 10.3 mm -62.8 -47.37 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.9 tt -47.34 -69.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.54 -59.74 7.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.555 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 5.0 tp -45.18 -37.28 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.528 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -60.19 -67.03 2.34 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 24.6 pt -63.31 1.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 0.0 110.673 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -82.91 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.608 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 39.9 p90 -81.76 20.09 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -37.53 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.692 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.08 120.51 6.23 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 45.0 p -169.8 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 501' ' ' LYS . 11.8 mptt 48.01 79.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -143.83 157.49 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.15 7.14 22.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 41.0 tt0 -95.81 -55.44 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.351 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.6 t -43.2 -39.13 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.6 ' C ' ' H ' ' A' ' 508' ' ' LEU . 9.7 mp -85.08 -47.89 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -47.01 -8.25 0.02 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.6 ' H ' ' C ' ' A' ' 506' ' ' LEU . 32.6 mt -123.3 -58.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.54 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.564 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 17.8 tp -63.72 -61.86 6.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.772 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.564 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.04 -53.27 6.53 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.402 2.068 . . . . 0.0 111.465 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.403 HG21 HD12 ' A' ' 512' ' ' ILE . 96.7 mt -47.91 -36.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.289 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.69 -33.66 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.295 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' B' ' 73' ' ' LEU . . . -168.33 78.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.572 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.478 ' HG ' ' CD1' ' A' ' 518' ' ' LEU . 59.8 p -93.01 35.27 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.412 . . . . 0.0 110.089 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.1 OUTLIER 66.73 7.13 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.259 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' O ' ' A' ' 518' ' ' LEU . 3.5 m-20 -159.47 -152.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.456 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.532 ' O ' ' O ' ' A' ' 519' ' ' PRO . 28.2 mt 59.01 143.78 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.686 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.532 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -47.12 -167.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.857 2.371 . . . . 0.0 112.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 17.3 pt -133.09 35.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.618 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -92.79 -80.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 t -71.43 -29.59 65.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.75 -51.82 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.42 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.522 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.4 mmt -50.03 -38.05 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.544 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.41 90.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.534 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.9 t -59.97 -30.91 69.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.48 -24.03 60.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.33 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.55 -33.98 70.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.533 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.32 -60.63 2.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -50.8 -44.6 58.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.549 ' C ' ' H ' ' A' ' 535' ' ' VAL . 76.6 t -67.75 -70.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.577 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.39 25.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.549 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -46.14 -27.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -91.04 -102.39 1.26 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.61 110.44 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.63 -158.85 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -158.85 177.23 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -80.78 -49.99 5.45 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -44.05 -62.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 73.4 mt -48.19 -44.97 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 546' ' ' ILE . 92.7 m -67.34 -75.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 543' ' ' THR . 73.2 p -20.93 -56.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 543' ' ' THR . 26.9 p -60.58 -53.25 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -58.2 -54.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.173 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 11.7 tpt -52.69 -37.16 58.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.402 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.7 OUTLIER -64.59 -51.79 60.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.4 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -48.67 -36.6 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.293 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -66.89 -58.76 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.524 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 7.9 mp -72.26 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.706 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 553' ' ' ARG . 27.9 tp10 -39.78 -42.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 552' ' ' GLU . 6.9 mmm-85 30.07 92.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.867 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -163.84 -27.01 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.034 0 CA-C-O 124.793 2.235 . . . . 0.0 115.652 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.655 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.25 1.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 111.652 -2.522 . . . . 0.0 109.016 171.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.867 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.8 OUTLIER -46.21 -4.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.401 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.655 ' H ' ' C ' ' A' ' 555' ' ' ALA . 4.8 mp0 -20.41 -46.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.731 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.648 ' N ' ' O ' ' A' ' 556' ' ' ILE . 68.2 mt -114.99 -148.92 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.506 ' O ' ' OG1' ' A' ' 560' ' ' THR . 84.4 mttt -157.05 -96.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.703 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 52.47 -100.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.53 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -171.19 143.57 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -179.15 -11.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.24 -33.78 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.52 -71.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -50.13 -37.57 34.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.76 -39.22 87.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -61.04 -56.2 23.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.0 mt -47.22 -54.27 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.36 -64.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 48.9 tp -45.1 -24.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 573' ' ' LEU . . . -83.19 -77.72 1.09 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.4 tt -52.01 -13.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 571' ' ' GLY . 17.2 tp -44.74 -70.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -70.11 -156.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 3.1 ptm -157.71 -0.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 82.92 133.48 2.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -162.39 -37.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.314 . . . . 0.0 110.54 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.738 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . -166.66 91.23 0.1 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.309 1.684 . . . . 0.0 117.309 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 578' ' ' GLY . 34.7 mt-10 26.89 30.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.188 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 578' ' ' GLY . 44.4 tt0 -58.76 -45.57 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.86 -38.96 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.8 OUTLIER -53.38 -49.37 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.571 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.451 ' OD2' ' NZ ' ' B' ' 6' ' ' LYS . 37.8 t70 -63.27 -67.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 84.4 t -41.86 -53.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 37.0 tp -51.27 -35.84 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 583' ' ' ASP . 7.2 tt0 -59.63 -35.86 75.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.464 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.9 m -71.37 -51.61 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -46.83 -27.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 m -92.38 -19.01 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.33 -18.91 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 592' ' ' GLU . 3.8 tp -97.94 152.32 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 591' ' ' ILE . 7.6 mm-40 -60.23 -140.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.531 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 10.4 m170 50.03 48.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.36 -15.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.012 2.474 . . . . 0.0 111.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 593' ' ' HIS . 11.4 mmt -59.05 -9.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 594' ' ' PRO . 11.4 t -79.08 -3.77 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 67.5 m -45.66 -46.32 14.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.83 -40.87 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 15.6 mt -78.58 -28.54 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.22 -39.48 92.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.46 -37.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.91 -66.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.09 -37.44 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.61 -31.27 77.21 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 26.6 t -78.48 -58.14 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 39.3 t -79.91 119.5 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -178.68 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -89.87 -163.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.621 ' HG1' ' N ' ' A' ' 610' ' ' GLY . 9.3 t -161.55 164.89 29.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.621 ' N ' ' HG1' ' A' ' 609' ' ' THR . . . -176.26 -131.45 1.47 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 50.2 p -66.0 -92.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.737 0.303 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 118.056 -1.414 . . . . 0.0 110.93 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -92.8 111.3 22.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -104.12 151.42 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.22 143.13 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 92.1 t -123.21 102.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.451 ' NZ ' ' OD2' ' A' ' 583' ' ' ASP . 26.1 ttpt -85.54 139.61 31.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.534 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.9 p -113.9 155.01 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.9 7.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.534 ' H ' ' C ' ' B' ' 7' ' ' THR . 70.0 p -101.93 -5.51 24.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 4.33 68.66 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -97.97 134.16 41.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -114.4 132.55 56.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.487 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mt -117.76 131.36 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -106.53 123.86 48.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.431 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -130.36 146.16 51.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.87 0.367 . . . . 0.0 110.79 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.87 125.06 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.44 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -147.05 167.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.771 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.608 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.3 mt-10 -125.11 148.67 61.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.355 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.62 -19.46 0.46 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.816 2.344 . . . . 0.0 112.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.3 9.19 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.75 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.608 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.7 m-20 -91.18 142.97 27.17 Favored 'General case' 0 N--CA 1.505 2.282 1 N-CA-C 97.492 -5.003 . . . . 0.0 97.492 -163.182 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 33.3 p -92.42 142.19 27.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.451 HD12 HG21 ' B' ' 23' ' ' ILE . 33.7 mm -45.27 -46.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -53.4 -40.27 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -61.98 -46.72 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.179 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.45 -51.0 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.256 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -52.09 -36.16 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.207 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.06 91.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -61.15 -35.8 78.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.372 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -70.67 -34.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.487 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -67.31 -32.8 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -78.76 -23.21 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -83.97 -58.31 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -89.06 -86.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 5.52 0.05 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 58.3 mt -78.59 132.26 65.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.301 . . . . 0.0 110.483 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.37 139.69 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.688 2.259 . . . . 0.0 111.864 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.604 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.56 -47.93 14.69 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.774 2.316 . . . . 0.0 112.058 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 3.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.604 ' H ' ' C ' ' B' ' 38' ' ' PRO . 16.6 mm100 -139.69 62.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -155.84 137.78 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 ttp-105 -127.0 105.55 8.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.399 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.44 127.46 43.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -128.15 146.33 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.426 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 71.1 t80 -132.24 177.35 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.36 -37.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.23 -90.72 0.16 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -147.66 -144.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -89.65 133.86 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.56 135.21 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -99.38 159.23 15.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.97 147.44 51.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 98.62 -65.63 0.73 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.2 mmm180 -41.05 166.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.761 0.315 . . . . 0.0 110.684 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.2 p -110.04 171.13 7.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.05 -23.21 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -76.14 -20.3 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -80.61 9.19 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -138.13 15.24 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m120 55.02 25.9 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.702 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -76.56 97.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.47 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -78.74 -157.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -84.81 157.47 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.09 31.49 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -88.34 132.83 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.08 127.3 35.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.97 120.78 40.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.421 ' NE2' ' OD2' ' A' ' 583' ' ' ASP . 46.5 m80 -72.93 139.09 46.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.484 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.465 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 6.4 tt -121.74 127.33 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.457 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.433 ' N ' HD23 ' B' ' 69' ' ' LEU . 18.9 t -130.41 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.482 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 3.5 mp -124.84 153.6 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 71' ' ' LEU . 36.3 mtp180 -47.16 177.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.503 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.554 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 3.6 mm? -50.38 103.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.484 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -70.25 114.06 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.531 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.65 39.45 3.12 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.059 -1.412 . . . . 0.0 110.934 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.547 ' N ' ' O ' ' C' ' 17' ' ' VAL . 23.5 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -95.02 113.17 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -114.52 144.91 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -96.5 146.71 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' C' ' 13' ' ' ILE . 79.2 t -128.58 94.41 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 83.1 mttt -81.92 120.84 25.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.53 ' OG1' ' CA ' ' C' ' 10' ' ' GLY . 64.4 p -77.55 148.47 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' C' ' 7' ' ' THR . 1.1 mt -32.73 -49.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.447 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 24.2 p -158.59 34.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.386 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . 0.53 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -112.26 -109.19 3.0 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.498 ' N ' ' OG1' ' C' ' 7' ' ' THR . 23.3 mtpt -123.56 171.6 9.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 0.0 110.914 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -108.87 86.52 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -72.62 141.77 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 28.2 m -114.9 109.26 17.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' C' ' 15' ' ' LEU . 3.6 mm? -97.96 133.48 42.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -91.44 88.51 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.219 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' C' ' 1' ' ' MET . 15.1 m -111.88 -162.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.04 177.6 2.0 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.993 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.14 -25.54 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.775 2.317 . . . . 0.0 112.328 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -0.89 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.21 141.82 45.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.675 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -90.33 147.23 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.437 HG22 HD12 ' C' ' 23' ' ' ILE . 23.7 mm -49.58 -46.34 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -51.89 -46.84 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.38 -38.98 81.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.96 -52.17 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -51.73 -41.47 61.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.358 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.339 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -55.63 -36.91 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.78 -45.61 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.331 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -55.93 -40.51 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.47 78.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.373 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -71.16 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -84.86 -88.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.26 5.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -80.38 130.63 64.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.0 110.515 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.56 143.26 34.02 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.619 2.213 . . . . 0.0 111.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.21 -63.83 0.3 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.856 2.37 . . . . 0.0 112.005 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -40.75 -21.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.653 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' C' ' 38' ' ' PRO . 29.3 mt-30 -113.8 56.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -151.32 134.72 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -128.75 100.63 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.451 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -81.79 110.8 17.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.598 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.88 133.97 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -138.69 133.08 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.13 34.71 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.45 49.23 39.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -157.92 120.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.34 129.15 37.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.56 125.93 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -69.14 158.22 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.08 103.66 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.522 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.1 -56.53 0.47 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 32.7 mmt-85 -49.46 175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.532 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.475 ' C ' ' H ' ' C' ' 57' ' ' SER . 31.0 p -115.87 161.59 18.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 68.8 mt -65.84 3.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.475 ' H ' ' C ' ' C' ' 55' ' ' THR . 6.5 t -96.38 -26.42 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.83 -39.77 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.02 10.34 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 54.73 29.22 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.44 98.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -82.58 -165.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -74.25 158.97 33.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 59.68 30.29 19.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.739 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -84.84 129.93 34.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.6 m -88.1 115.12 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.712 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.05 118.17 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -79.56 102.92 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.556 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.27 102.19 11.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.19 140.51 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.629 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.13 161.25 17.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -87.16 -79.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 tp 54.91 93.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.48 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -139.62 53.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.456 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.83 66.92 0.06 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.933 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 26.9 p -63.8 -165.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -168.23 7.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 8.9 mm -47.93 -33.35 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.52 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.8 p -53.65 -43.92 69.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 30.4 t -54.53 -51.81 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -69.13 -19.5 64.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.48 -60.95 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.414 HG23 HD13 ' A' ' 490' ' ' ILE . 9.2 mm -62.35 -35.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.417 ' C ' ' CD2' ' A' ' 491' ' ' LEU . 2.7 tt -54.27 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.13 -63.02 4.92 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.54 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 4.3 tp -43.67 -43.33 5.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.629 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.49 -49.34 65.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.5 pt -86.8 7.79 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.76 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -86.28 -56.87 3.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.54 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 43.2 p90 -87.92 21.55 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.32 -62.59 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -97.77 66.92 0.8 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 97.0 p -172.33 98.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.541 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -85.61 57.45 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.542 ' C ' ' H ' ' A' ' 504' ' ' GLU . 21.8 m120 -72.91 124.29 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.18 -3.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.542 ' H ' ' C ' ' A' ' 502' ' ' ASN . 47.8 mt-10 -88.87 -56.76 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 41.6 t -41.86 -34.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.374 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.619 ' C ' ' H ' ' A' ' 508' ' ' LEU . 9.0 tp -81.45 -51.23 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.478 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -57.06 2.29 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.619 ' H ' ' C ' ' A' ' 506' ' ' LEU . 69.1 mt -121.23 -52.02 2.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.08 -42.06 89.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.51 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 11.5 tp -56.99 -62.37 5.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.774 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.59 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -45.79 -50.37 9.68 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.534 2.156 . . . . 0.0 111.753 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.51 -23.1 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -79.69 -33.61 40.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -155.69 56.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.2 OUTLIER -68.47 -10.2 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 515' ' ' SER . 0.2 OUTLIER 80.45 54.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.742 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.464 ' OD1' ' OG ' ' A' ' 515' ' ' SER . 0.4 OUTLIER 173.85 -82.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 1.2 pt? -41.78 165.86 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.628 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.98 145.28 28.04 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.869 2.379 . . . . 0.0 111.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 555' ' ' ALA . 17.2 pt -91.01 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.597 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -74.4 -38.16 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -17.93 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.41 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.32 76.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' MET . . . . . 0.534 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.5 mpt? -68.45 -47.72 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.04 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 61.8 p -48.68 -34.03 11.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.65 -66.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.504 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.97 -51.57 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.3 tt -44.59 -51.34 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.21 -34.37 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -51.94 -40.94 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 535' ' ' VAL . 95.0 t -77.62 -48.7 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 537' ' ' THR . 30.9 m-85 -78.79 16.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.412 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -49.09 -40.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.47 -81.77 0.29 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 10.1 t -72.15 -168.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.425 ' N ' ' OG1' ' A' ' 537' ' ' THR . 22.9 p -160.21 -178.59 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -154.62 173.24 16.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -89.81 -52.49 2.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.67 -33.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 543' ' ' THR . 79.8 mt -72.94 -81.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 542' ' ' ILE . 18.2 m -38.75 -44.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 40.6 p -52.15 -58.03 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.6 p -59.45 -54.8 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.243 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -35.07 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.144 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.3 tpt -77.89 -37.82 47.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.297 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' B' ' 72' ' ' ARG . 62.0 m-20 -50.7 -28.61 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.194 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.63 ' O ' ' N ' ' A' ' 553' ' ' ARG . 17.1 m-20 -87.35 -58.12 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.471 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -43.58 -19.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 549' ' ' ASN . 27.7 mt -98.76 -81.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.481 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 554' ' ' THR . 5.2 mt-10 -64.05 -7.47 8.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.72 ' O ' ' C ' ' A' ' 554' ' ' THR . 17.6 mmt180 53.95 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.734 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.4 OUTLIER 35.54 -121.11 0.13 Allowed 'General case' 0 CA--C 1.555 1.143 1 N-CA-C 98.313 -4.699 . . . . 0.0 98.313 -179.547 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.716 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 5.5 63.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.651 -167.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.734 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -115.13 11.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.609 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -71.63 18.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' A' ' 556' ' ' ILE . 1.1 pt? -69.92 -176.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -147.77 1.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 1.8 t -161.58 178.78 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.441 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.1 m-20 -51.13 159.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -174.78 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -52.37 -22.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -61.86 -71.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -56.52 -45.41 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 23.7 tp -46.64 -43.07 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.451 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.61 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 38.8 tp -45.78 -38.76 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -64.71 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.41 -17.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -86.23 -77.82 1.22 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 10.2 tp -50.91 -23.24 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.54 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -40.13 -61.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.674 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -83.88 117.42 23.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -46.6 164.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -51.57 144.12 16.31 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 576' ' ' GLY . 44.1 tt0 59.76 127.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.572 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 155.39 104.17 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.21 -10.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.512 ' H ' ' C ' ' A' ' 578' ' ' GLY . 11.5 tp60 -47.43 -35.37 8.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.05 -40.88 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.07 -31.62 69.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.546 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 40.9 t0 -72.45 -73.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.619 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 34.4 t -43.11 -46.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.65 -38.31 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.418 ' O ' ' OG ' ' A' ' 589' ' ' SER . 35.1 tp10 -57.96 -48.37 80.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 5.0 m -52.85 -56.44 15.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -44.87 -35.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 586' ' ' GLU . 58.2 p -85.66 -19.37 31.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.06 -36.11 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.4 tt -89.31 163.65 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -61.83 -137.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 50.3 m80 49.71 73.63 0.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 -24.12 12.21 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.002 2.468 . . . . 0.0 111.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.463 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.8 tpt -49.33 -38.62 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 43.6 p -60.78 -4.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.3 t -44.44 -30.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.53 90.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 17.8 mt -77.05 -36.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.554 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.12 -37.1 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -78.89 -47.28 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.92 -54.53 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.0 -57.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.98 -26.89 2.23 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -78.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.557 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 23.9 p -82.93 126.99 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -175.23 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -80.42 110.73 16.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 30.9 p -62.03 -175.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -56.49 -171.53 0.14 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 17.1 m -75.94 -29.23 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.527 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.715 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.934 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.616 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -125.53 109.22 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -104.46 159.16 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.746 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.545 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 21.9 m-85 -116.1 159.02 22.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.4 t -136.21 109.59 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -90.85 127.85 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.413 ' C ' ' H ' ' B' ' 9' ' ' THR . 3.0 p -105.13 146.14 29.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.58 -6.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.413 ' H ' ' C ' ' B' ' 7' ' ' THR . 2.7 p -90.37 24.36 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.67 76.02 0.22 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -173.76 156.45 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -135.46 131.49 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.493 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -114.06 127.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.545 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 10.7 m -101.84 118.76 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -126.55 148.05 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.723 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' B' ' 16' ' ' GLU . 23.9 mp0 -92.28 124.35 36.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.616 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.9 m -147.5 169.68 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.599 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 20.8 mt-10 -124.92 152.54 70.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.252 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.47 ' O ' ' OG ' ' B' ' 57' ' ' SER . 2.9 Cg_endo -44.99 -31.36 5.38 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.079 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -28.57 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.599 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.4 m-20 -45.22 135.62 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.73 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p -92.62 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.503 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -42.83 -46.32 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -53.93 -42.17 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -47.15 87.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.26 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.36 -53.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.265 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' B' ' 41' ' ' GLN . 50.2 mttm -50.58 -35.48 30.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.24 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.7 87.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.222 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -34.23 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.61 -35.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.465 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -71.46 -31.16 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -76.57 -64.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.5 -88.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.04 4.69 0.04 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 47.3 mt -80.07 134.49 56.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 0.0 110.513 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.96 144.24 34.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.647 2.231 . . . . 0.0 111.983 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.663 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.47 -50.96 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.865 2.377 . . . . 0.0 112.041 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 22.0 m-20 -65.63 28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.663 ' H ' ' C ' ' B' ' 38' ' ' PRO . 51.2 mt-30 -158.01 49.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.508 ' O ' ' NZ ' ' B' ' 27' ' ' LYS . 72.8 mt-30 -147.14 137.18 23.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -122.85 104.65 9.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.459 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 mt -100.34 131.64 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' B' ' 45' ' ' PHE . 82.6 mt -132.68 161.7 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.462 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 63.4 t80 -154.14 175.25 13.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.624 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.81 -38.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.92 -90.95 0.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -149.28 -142.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -94.3 138.72 31.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.09 109.31 19.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.621 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.84 158.7 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.527 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.62 146.62 54.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 97.27 -67.51 0.84 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' B' ' 53' ' ' GLY . 18.6 mmt180 -41.34 165.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.635 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.8 p -109.95 164.51 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.27 -28.08 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.7 m -69.78 -39.42 76.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.6 -39.3 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -90.61 11.67 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 m120 55.5 28.11 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.5 mt -72.74 114.14 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -86.17 -161.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -87.62 160.54 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.718 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 55.93 30.56 16.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -82.77 129.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -88.07 92.02 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.685 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.51 170.56 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.438 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.546 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 61.7 m80 -129.01 110.25 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.301 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -93.07 146.77 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.775 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.8 t -148.57 144.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.78 144.73 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.436 ' C ' ' OD2' ' A' ' 548' ' ' ASP . 24.6 ptt85 -61.14 -169.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.638 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 2.2 mm? -63.15 153.58 33.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -150.05 -131.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.2 82.59 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.936 -1.48 . . . . 0.0 110.958 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.534 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.1 ttp . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.5 111.87 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.39 148.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -101.92 150.72 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' C' ' 13' ' ' ILE . 85.3 t -131.23 91.47 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -76.51 115.86 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.729 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 69.6 p -72.86 142.11 47.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.181 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.464 ' O ' ' CG2' ' C' ' 9' ' ' THR . 16.4 tp -37.02 -48.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.472 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 19.4 p -160.69 71.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.387 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . 0.525 ' CA ' ' HG1' ' C' ' 7' ' ' THR . . . -156.4 -81.21 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.715 ' HG2' ' N ' ' C' ' 12' ' ' THR . 18.6 tttp -153.59 165.08 37.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.701 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' THR . . . . . 0.715 ' N ' ' HG2' ' C' ' 11' ' ' LYS . 14.0 m -104.24 96.36 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' C' ' 5' ' ' VAL . 1.4 mt -78.26 148.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -123.71 128.22 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.278 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -128.9 139.24 52.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.891 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.65 96.92 10.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.307 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' C' ' 1' ' ' MET . 11.0 m -113.09 -166.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -131.97 173.83 5.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.74 -20.61 15.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.795 2.33 . . . . 0.0 112.343 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -93.61 -11.81 30.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.786 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.64 137.44 56.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.486 ' HG1' ' CG ' ' C' ' 25' ' ' ASN . 2.7 p -86.86 156.06 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -57.03 -51.25 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -52.25 -38.75 59.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.486 ' CG ' ' HG1' ' C' ' 22' ' ' THR . 3.9 m-20 -63.46 -41.94 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.19 -48.12 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.154 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -53.21 -42.57 66.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.123 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.86 95.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.239 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -58.04 -37.17 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 mt -67.69 -42.67 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.408 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.55 -33.85 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.3 -30.53 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -74.64 -60.53 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -90.8 -106.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.53 11.58 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.446 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 67.2 mt -83.27 128.69 63.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.635 0.255 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.2 143.35 35.46 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.59 2.193 . . . . 0.0 111.869 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.617 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -47.17 15.38 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.815 2.343 . . . . 0.0 112.009 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.89 28.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.674 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.617 ' H ' ' C ' ' C' ' 38' ' ' PRO . 20.6 mt-30 -156.46 44.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.512 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -145.32 158.03 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -149.37 99.8 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.56 107.01 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.603 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mt -107.49 141.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.417 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -152.05 128.0 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.66 28.37 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.38 24.47 63.2 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -130.32 117.42 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 110.579 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -80.6 135.1 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.98 130.65 35.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -84.72 157.73 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.04 100.45 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 150.11 -64.92 0.39 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.6 mmt-85 -43.62 170.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.523 ' C ' ' H ' ' C' ' 57' ' ' SER . 53.5 p -115.58 162.71 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.27 3.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.523 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.97 -38.2 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -62.04 -39.02 90.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -82.3 6.01 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 54.9 36.06 25.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . 0.419 HD12 HG21 ' C' ' 61' ' ' ILE . 59.7 mt -80.87 99.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -77.17 -157.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.774 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -87.31 162.18 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 55.39 33.26 20.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.663 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -84.94 167.89 15.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.418 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -123.05 106.87 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.616 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.55 118.63 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.523 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -78.4 97.67 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.73 108.97 13.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.77 141.95 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.591 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -89.41 161.76 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -145.94 152.24 39.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.54 -165.43 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.541 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 64.26 109.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.637 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.48 -80.79 0.13 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.688 0 CA-C-O 118.001 -1.444 . . . . 0.0 110.905 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 54.0 p -50.56 -26.9 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -83.32 56.56 3.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.7 mt -61.89 -30.18 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 19.8 t -49.81 -40.23 41.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.5 p -57.56 -50.21 73.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.89 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -53.85 -68.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 490' ' ' ILE . 10.1 mm -54.22 -30.9 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.37 -62.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.47 -59.64 6.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.5 mp -58.68 -27.43 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.66 -61.3 7.64 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.77 -22.5 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.614 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.38 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 34.9 m-85 -47.62 -42.85 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.505 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 12.46 36.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.5 t -145.97 -70.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.8 tttp 48.6 67.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.668 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -131.54 170.54 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.42 -4.65 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.54 -39.44 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.111 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 26.7 t -49.28 -63.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.24 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.01 -41.65 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -38.75 -35.78 0.39 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 10.4 mp -109.7 -40.6 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.21 -51.53 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.591 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.2 tp -44.33 -65.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.891 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.591 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.23 -61.15 0.65 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.321 2.014 . . . . 0.0 111.728 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 88.7 mt -42.23 -20.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -92.65 -39.61 11.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -166.35 70.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.739 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.499 ' C ' ' OG1' ' A' ' 516' ' ' THR . 2.3 m -65.17 -41.53 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.349 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.499 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.0 OUTLIER 175.24 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.481 ' CG ' ' NH1' ' C' ' 72' ' ' ARG . 18.6 t0 -165.53 72.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.1 mt -128.28 152.32 77.79 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.99 161.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.812 2.342 . . . . 0.0 111.974 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 3.0 mt -101.97 -4.88 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.55 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -39.13 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.57 -53.62 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -42.77 -67.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.0 mmt -44.31 -49.28 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.98 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 78.6 p -47.49 -22.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.404 ' C ' ' CD2' ' A' ' 528' ' ' LEU . 1.7 tt -73.54 -68.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.01 -26.69 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' A' ' 530' ' ' LEU . 3.3 tt -65.97 -59.35 3.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.8 -45.91 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.35 -54.85 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.2 t -65.96 -60.75 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -75.9 27.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -62.9 -32.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.628 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.08 -70.97 1.28 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.2 117.61 28.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.589 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.437 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 20.1 p -88.06 -170.85 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 82.6 m-20 -158.32 -179.66 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 542' ' ' ILE . . . -93.49 -57.12 1.38 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.47 -26.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.587 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.427 ' C ' ' N ' ' A' ' 544' ' ' THR . 54.0 mt -80.8 -71.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.7 m -47.72 -17.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.427 ' N ' ' C ' ' A' ' 542' ' ' ILE . 39.2 p -84.94 -49.58 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.535 ' HG ' ' N ' ' A' ' 546' ' ' ILE . 77.3 p -66.25 -45.51 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.207 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . 0.535 ' N ' ' HG ' ' A' ' 545' ' ' SER . 1.5 mt -59.66 -53.58 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 89.4 mmm -59.48 -37.79 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.276 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.9 OUTLIER -64.79 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.264 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.527 ' C ' HD21 ' A' ' 549' ' ' ASN . 0.2 OUTLIER -66.65 -45.27 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.257 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.65 -59.39 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.497 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 9.5 mp -62.75 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.585 ' HG3' ' OG1' ' A' ' 554' ' ' THR . 9.5 tp10 -42.07 -65.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.402 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 556' ' ' ILE . 4.1 tpp180 80.41 -40.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.046 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.813 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.3 m -21.07 -40.78 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.652 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -46.39 -5.21 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.813 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.4 OUTLIER -32.88 -24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.138 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.657 ' C ' ' O ' ' A' ' 556' ' ' ILE . 57.4 mm-40 -9.39 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.699 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 556' ' ' ILE . 86.8 mt -121.91 170.69 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.323 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -158.19 18.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.766 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 21.5 p -89.25 99.18 12.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 55.64 101.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.437 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 15.1 p-90 -162.09 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.2 p -46.08 -19.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 562' ' ' TRP . 70.8 mtp85 -72.54 -75.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -53.07 -31.54 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.54 -70.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.77 9.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.68 -56.19 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -46.64 -62.15 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 55.2 tp -44.09 -24.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.548 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.17 -67.97 1.54 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 18.9 pt -63.06 -9.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.4 tp -48.74 -26.53 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -138.0 96.15 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 64.7 mtp -88.85 41.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . 168.09 177.94 39.63 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 577' ' ' GLN . 2.0 mp0 48.51 99.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -80.78 -19.97 66.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -54.57 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.528 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -45.78 -53.98 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.84 -48.9 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -44.52 -40.09 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.474 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.47 -54.89 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 23.0 t -45.21 -58.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.8 mt -48.01 -35.3 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -57.35 -37.06 72.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.3 m -73.97 -43.58 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.358 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 10.8 mt -59.23 -36.36 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 47.4 m -69.46 -43.27 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.36 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 592' ' ' GLU . 19.6 tt -79.53 159.23 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 591' ' ' ILE . 37.2 mt-10 -46.28 174.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.443 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.6 m80 -135.67 53.58 8.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.72 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.74 -82.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.913 2.409 . . . . 0.0 111.868 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 597' ' ' SER . 32.5 ttm -106.23 -35.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 t -44.24 -24.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 595' ' ' MET . 36.7 t -41.2 -39.23 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.33 -64.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 74.2 mt -41.96 -48.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.555 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -46.85 -50.25 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.29 -51.45 48.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 602' ' ' LEU . 3.9 mm? -55.71 -69.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.9 t -47.12 -33.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.48 -44.9 96.33 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 5.2 t -61.05 -37.05 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.41 -169.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 48.03 -160.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -66.98 119.5 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 30.0 p -60.79 -36.67 79.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -87.61 -144.53 9.23 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 50.1 p 46.25 78.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.793 0 CA-C-O 117.968 -1.462 . . . . 0.0 110.932 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -84.06 116.13 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -113.26 147.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.481 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.03 136.39 44.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.02 107.77 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.162 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -90.71 129.42 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.515 ' C ' ' H ' ' B' ' 9' ' ' THR . 4.7 p -109.71 146.08 35.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.3 mt -48.8 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.515 ' H ' ' C ' ' B' ' 7' ' ' THR . 4.5 p -81.33 3.08 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -3.23 59.17 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.04 139.33 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -112.57 158.93 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -139.49 136.64 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.756 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -101.31 130.77 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.98 130.22 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.796 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -89.02 99.11 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.1 m -126.52 -166.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.756 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.0 mm-40 -136.98 178.51 1.69 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.169 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.83 -27.19 10.58 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.744 2.296 . . . . 0.0 112.188 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.05 0.46 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.4 m-20 -72.93 137.62 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.533 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -87.49 141.49 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mm -46.18 -51.63 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -49.06 -41.85 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.299 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -42.4 97.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.239 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.42 -51.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.249 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -49.72 -40.62 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.222 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -58.93 -36.94 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.95 -46.83 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.318 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -54.5 -33.22 59.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 32' ' ' ASP . 51.6 t0 -75.49 -33.26 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -71.73 -60.23 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -92.62 -87.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.48 3.75 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.6 mt -73.02 129.3 86.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.633 0.254 . . . . 0.0 110.522 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.92 141.75 30.53 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.655 2.237 . . . . 0.0 111.956 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.01 -65.41 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.852 2.368 . . . . 0.0 112.068 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.5 m-20 -37.87 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' B' ' 38' ' ' PRO . 5.5 mt-30 -105.61 60.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -153.45 134.27 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.696 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -128.78 103.76 7.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.24 123.47 37.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.449 HG22 HD11 ' B' ' 44' ' ' ILE . 45.3 mt -121.21 145.27 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 79.2 t80 -154.77 177.71 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -46.54 -14.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . -104.29 26.76 21.86 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 45' ' ' PHE . 39.2 tttt 69.22 -150.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.307 . . . . 0.0 110.623 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.434 ' H ' ' HG2' ' B' ' 48' ' ' LYS . 7.3 tp-100 -76.15 128.14 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.504 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.49 126.72 33.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -90.0 158.43 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.67 163.13 28.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.22 -56.92 4.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 15.4 mmt180 -45.92 173.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.426 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 68.6 p -121.91 160.36 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.63 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.85 -10.08 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.426 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 33.4 p -86.67 -35.68 19.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -59.12 -41.58 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.41 4.68 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 60.95 23.76 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -67.91 99.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -78.9 -157.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -83.92 161.16 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 55.75 34.11 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.3 m -88.45 131.82 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -93.89 105.33 17.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.512 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -91.61 127.31 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -83.19 97.93 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.607 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.436 HD11 ' H ' ' B' ' 70' ' ' VAL . 64.7 tp -85.3 150.33 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.696 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.436 ' H ' HD11 ' B' ' 69' ' ' LEU . 42.1 t -144.1 153.87 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.422 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 10.1 mp -105.25 167.74 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.645 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' B' ' 74' ' ' ARG . 28.6 ttp180 -63.22 168.26 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.427 ' H ' ' HG2' ' B' ' 72' ' ' ARG . 1.3 tp -71.17 46.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.451 ' H ' ' C ' ' B' ' 72' ' ' ARG . 25.2 ptt180 -68.93 -173.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.93 80.07 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.011 -1.439 . . . . 0.0 110.934 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -86.36 108.95 18.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 10.5 pt -113.08 150.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.08 142.68 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' C' ' 13' ' ' ILE . 93.8 t -125.27 94.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.287 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -76.87 120.6 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.763 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.607 ' HG1' ' H ' ' C' ' 10' ' ' GLY . 67.1 p -67.81 144.68 55.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' C' ' 7' ' ' THR . 0.8 OUTLIER -28.56 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.595 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.5 ' N ' ' O ' ' C' ' 7' ' ' THR . 0.2 OUTLIER -172.96 64.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.405 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . 0.607 ' H ' ' HG1' ' C' ' 7' ' ' THR . . . -151.27 -101.41 0.22 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.606 ' CG ' ' N ' ' C' ' 12' ' ' THR . 15.0 tttt -118.1 166.38 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' THR . . . . . 0.606 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.3 m -110.94 108.38 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.45 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' C' ' 5' ' ' VAL . 5.5 mt -86.98 141.52 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -114.22 124.23 51.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.329 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -120.0 134.41 55.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -88.12 73.67 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.4 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 6.5 m -91.05 -168.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.511 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.6 mt-10 -143.62 146.9 37.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.19 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.55 -28.04 3.96 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.853 2.369 . . . . 0.0 112.39 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.3 22.06 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.887 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 11.3 m-20 -95.88 134.84 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.553 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -81.83 137.64 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.456 HD12 HG21 ' C' ' 23' ' ' ILE . 33.2 mm -45.12 -51.23 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.319 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -48.82 -42.58 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.82 -42.45 97.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.88 -46.13 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.141 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -55.32 -39.82 70.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.253 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.96 85.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.261 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -56.07 -43.89 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.283 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.93 -32.71 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.399 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.57 -31.72 72.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.436 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -79.27 -21.34 46.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -85.76 -58.33 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -93.86 -93.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 24.75 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.443 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 45.1 mt -93.3 103.91 10.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.632 0.253 . . . . 0.0 110.493 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -44.7 137.58 8.72 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.664 2.243 . . . . 0.0 111.919 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.535 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.0 -41.98 20.76 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.881 2.387 . . . . 0.0 112.08 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.79 26.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.712 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.535 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.4 mt-30 -152.28 50.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -149.38 148.25 29.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -142.21 96.96 3.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.431 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.99 108.88 10.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.716 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 52.4 mt -103.03 124.05 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.383 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 57.2 t80 -127.01 -106.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -61.47 72.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.25 29.46 0.65 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -155.4 156.27 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.585 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -91.28 141.87 28.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.6 115.97 21.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.552 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -68.92 157.7 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -73.03 160.96 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.18 -66.66 3.48 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt85 -42.49 168.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.1 p -112.3 167.76 10.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.54 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -64.17 -25.7 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.517 ' C ' ' H ' ' C' ' 59' ' ' TYR . 67.4 p -67.32 -29.69 69.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.577 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -73.97 21.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.517 ' H ' ' C ' ' C' ' 57' ' ' SER . 88.4 m-85 -148.79 9.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 55.81 28.84 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -75.92 96.14 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.36 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.32 -157.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -87.06 160.25 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 57.35 34.01 24.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 29.0 m -86.45 169.53 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.424 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -124.85 119.81 29.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mt -111.33 118.34 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -79.98 95.26 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.25 112.99 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -110.81 127.27 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' C' ' 72' ' ' ARG . 23.5 mt -67.21 164.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' A' ' 517' ' ' ASP . 47.9 ttt-85 57.2 160.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . 0.405 ' C ' ' CD1' ' C' ' 73' ' ' LEU . 0.4 OUTLIER -157.89 -172.78 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 ttt-85 -146.45 91.91 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.54 -130.73 2.06 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.786 0 CA-C-O 117.998 -1.446 . . . . 0.0 110.971 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . 0.476 ' C ' ' H ' ' A' ' 484' ' ' LYS . 39.1 m-20 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 51.0 p -77.01 20.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.517 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 482' ' ' ASP . 30.7 mmtp -79.58 7.22 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 10.0 mm -60.37 -12.52 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.6 p -61.0 -37.19 81.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.7 t -69.79 -42.75 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.62 -15.29 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 6.7 tp -64.82 -31.86 55.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.79 -73.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.27 -38.58 6.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 38.8 tp -64.14 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -47.69 85.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 12.7 tt -82.43 -5.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.45 -81.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER -78.43 31.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.638 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.62 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 497' ' ' PHE . . . -110.13 128.38 8.83 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.4 t -164.88 -72.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.4 tttp 61.12 64.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -130.36 162.08 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.35 -3.59 57.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -88.27 -47.13 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 509' ' ' LEU . 53.7 t -40.81 -55.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 508' ' ' LEU . 6.6 mp -72.95 -41.28 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -38.2 -24.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 506' ' ' LEU . 7.7 tp -129.12 -42.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.345 . . . . 0.0 110.752 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 505' ' ' VAL . 31.1 tp -61.3 -32.02 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.564 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.4 tp -61.95 -63.02 4.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.673 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.564 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.57 -46.69 17.09 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.349 2.033 . . . . 0.0 111.442 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 89.8 mt -52.1 -34.92 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.249 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -77.33 -36.24 54.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -163.98 83.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.688 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 516' ' ' THR . 74.2 p -90.22 16.57 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 515' ' ' SER . 1.0 OUTLIER 88.29 -0.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.744 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -174.99 70.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.465 ' CD1' ' OG ' ' A' ' 515' ' ' SER . 27.8 mt -144.75 150.3 46.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.444 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.25 170.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.836 2.358 . . . . 0.0 111.959 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 16.6 mt -106.55 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.433 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -50.52 -95.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.4 m -40.7 -49.6 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.44 -53.07 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.423 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -50.17 -49.4 52.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.1 mtt -61.09 -55.57 30.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.78 -34.66 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 7.0 p -58.06 -46.71 84.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.6 tp -57.71 -55.76 30.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.493 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.71 -36.64 7.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.67 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.415 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.41 -38.07 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.522 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -57.83 -48.34 80.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.09 -59.35 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -84.69 22.94 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.2 p -49.63 -32.05 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -81.97 -85.55 0.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 60.5 p -65.05 -170.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 95.6 m -151.02 -175.23 5.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 540' ' ' GLY . 21.0 t-20 -160.49 -179.97 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.52 ' H ' ' CG ' ' A' ' 539' ' ' ASN . . . -99.39 -51.93 1.28 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.478 ' N ' HH21 ' B' ' 74' ' ' ARG . 23.8 m-20 -37.66 -34.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.442 ' C ' ' N ' ' A' ' 544' ' ' THR . 7.1 mt -80.15 -67.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 27.1 m -46.45 -18.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.475 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.517 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 11.8 p -82.11 -51.74 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.504 ' H ' ' HG1' ' A' ' 544' ' ' THR . 2.9 p -68.76 -46.88 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.177 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 2.0 mt -55.2 -55.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.343 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 91.7 mmm -59.25 -48.74 80.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.517 ' OD2' ' O ' ' A' ' 544' ' ' THR . 1.7 m-20 -52.36 -36.83 54.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 553' ' ' ARG . 11.1 t-20 -61.73 -55.76 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.266 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.438 ' CZ ' ' CD2' ' A' ' 566' ' ' LEU . 19.2 m-85 -43.24 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.432 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 6.7 mp -90.03 -78.83 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.516 ' OE2' ' NH2' ' B' ' 42' ' ' ARG . 30.0 mm-40 -45.25 -43.12 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.66 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.634 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.0 OUTLIER 65.41 -94.11 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.096 1 N-CA-C 98.63 -4.581 . . . . 0.0 98.63 -179.713 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.1 OUTLIER 55.51 -67.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.263 -168.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.726 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -18.15 -32.29 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 167.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.742 ' O ' ' N ' ' A' ' 558' ' ' LEU . 96.9 mt -1.17 -57.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.273 2.327 0 CA-C-O 115.772 -2.061 . . . . 0.0 110.994 163.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.726 ' N ' ' O ' ' A' ' 555' ' ' ALA . 64.6 mm-40 9.38 -66.69 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 121.829 2.104 . . . . 0.0 111.144 171.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.742 ' N ' ' O ' ' A' ' 556' ' ' ILE . 4.4 mm? -107.71 164.11 12.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.452 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.8 tttp -126.68 -101.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 50.14 -95.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -145.86 158.54 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 31.0 p90 -163.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.635 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.624 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 11.3 p -50.95 -20.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.563 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.55 -75.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.39 -42.44 98.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 550' ' ' PHE . 13.0 tp -52.32 -37.52 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.623 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.19 -55.22 15.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 66.2 mt -45.04 -48.97 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -57.96 -68.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.8 tp -46.57 -23.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -86.52 -77.79 1.23 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.25 -21.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.345 . . . . 0.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 571' ' ' GLY . 20.5 tp -52.52 -57.51 9.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 575' ' ' MET . 65.9 m-85 -92.26 130.63 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 574' ' ' TYR . 31.0 mtm -57.15 -157.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.07 -116.11 0.04 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -59.93 123.42 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -169.11 133.79 2.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.89 -17.87 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.83 -40.91 81.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.68 -39.34 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.1 -32.56 69.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.52 ' OD2' ' NZ ' ' B' ' 6' ' ' LYS . 15.7 t70 -75.91 -62.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.6 t -49.7 -49.57 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 28.3 tp -53.35 -45.8 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.46 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -49.79 -48.45 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.51 ' H ' ' HG1' ' A' ' 587' ' ' THR . 2.0 m -55.49 -55.04 36.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.442 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 53.9 mt -49.43 -39.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.436 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 9.5 t -74.38 -29.1 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.402 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 47' ' ' GLY . . . -52.91 -57.58 9.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.544 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 592' ' ' GLU . 81.3 mt -81.54 123.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.49 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 591' ' ' ILE . 52.7 mt-10 -42.84 -97.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.446 ' C ' ' H ' ' A' ' 595' ' ' MET . 5.3 m-70 40.27 78.11 0.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.68 28.21 0.35 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.004 2.47 . . . . 0.0 112.087 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.446 ' H ' ' C ' ' A' ' 593' ' ' HIS . 16.2 mtt -89.95 -37.77 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 7.3 t -83.31 -2.21 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.7 t -40.09 -31.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.75 -55.73 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.419 HG23 HD11 ' A' ' 599' ' ' ILE . 79.0 mt -58.51 -44.52 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -46.01 -55.97 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -55.74 -32.4 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.406 ' C ' ' CD2' ' A' ' 602' ' ' LEU . 1.8 tt -72.16 -65.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.66 -26.49 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -70.22 -57.73 6.63 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.9 t -45.71 -43.43 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.514 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.3 m -80.87 -178.2 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 45.74 -150.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -62.2 121.77 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 99.1 m -55.95 -32.58 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' ' 612' ' ' GLY . . . 67.14 177.48 9.4 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 5.3 t -77.83 39.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.624 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 117.988 -1.451 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.532 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -109.55 112.2 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.75 156.04 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.543 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 60.4 m-85 -113.8 140.1 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.655 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.0 t -118.77 106.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.21 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.52 ' NZ ' ' OD2' ' A' ' 583' ' ' ASP . 17.0 ttpt -88.12 137.95 31.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.481 ' O ' ' N ' ' B' ' 9' ' ' THR . 30.9 p -103.96 143.28 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -45.17 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.538 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.481 ' N ' ' O ' ' B' ' 7' ' ' THR . 1.5 p -78.52 -53.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.481 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.415 ' N ' ' OG1' ' B' ' 9' ' ' THR . . . 145.55 0.91 0.79 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -85.68 129.77 34.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -111.01 121.4 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -107.15 127.83 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.543 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 3.6 m -101.8 125.26 48.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.414 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.55 139.13 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.863 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -83.57 113.6 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.117 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' B' ' 1' ' ' MET . 4.7 m -139.39 168.64 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.631 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 68.4 mt-10 -122.45 149.33 54.99 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.272 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -21.4 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.946 2.431 . . . . 0.0 112.427 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -91.9 -18.66 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.631 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 7.5 m-20 -45.11 136.57 4.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 173.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.454 ' O ' ' N ' ' B' ' 25' ' ' ASN . 7.3 p -88.39 134.02 33.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -40.98 -52.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -38.14 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' B' ' 22' ' ' THR . 13.2 t-20 -63.48 -48.3 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.06 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -55.23 -46.44 77.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.128 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.88 -38.12 69.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.55 81.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.76 -40.11 78.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.261 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.85 -37.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -64.71 -35.72 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -69.3 -29.52 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -80.72 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -85.94 -84.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.598 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.68 13.02 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.468 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 55.3 mt -83.85 118.82 72.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.682 0.277 . . . . 0.0 110.532 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 136.79 14.49 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.66 2.24 . . . . 0.0 111.847 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.7 -67.44 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.764 2.309 . . . . 0.0 111.992 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -42.8 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 38' ' ' PRO . 53.4 mm-40 -101.91 57.11 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.584 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 69.6 mt-30 -153.07 134.24 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.516 ' NH2' ' OE2' ' A' ' 552' ' ' GLU . 11.6 ttm180 -123.87 106.79 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -102.09 113.52 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -106.91 133.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.268 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.628 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 64.4 t80 -123.6 171.33 9.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.628 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -50.22 83.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 150.89 -82.9 0.18 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -152.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.646 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -101.35 146.22 27.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.14 106.84 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.61 158.58 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 163.67 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 81.09 -68.74 3.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.4 mmt180 -42.59 169.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.295 . . . . 0.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.45 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 71.6 p -116.82 171.27 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.524 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.72 2.18 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.543 ' C ' ' H ' ' B' ' 59' ' ' TYR . 80.1 p -90.77 -33.97 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.61 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 0.4 OUTLIER -73.91 24.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.543 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.0 m-85 -148.32 3.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.493 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER 55.68 37.1 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -84.9 108.38 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.464 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -89.01 -170.67 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.666 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -73.32 160.61 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 55.03 26.73 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -85.28 129.75 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.7 m -91.14 134.7 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.32 174.77 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -123.82 105.93 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.222 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.4 tp -90.8 138.49 31.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.526 ' CG1' ' H ' ' B' ' 71' ' ' LEU . 8.9 t -148.25 177.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.338 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.585 ' CD2' ' N ' ' B' ' 71' ' ' LEU . 1.3 pt? -161.75 155.52 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' B' ' 71' ' ' LEU . 59.9 mtt180 -39.16 167.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.674 ' CD2' ' H ' ' B' ' 73' ' ' LEU . 3.3 mm? -38.15 108.13 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.478 HH21 ' N ' ' A' ' 541' ' ' ASP . 31.0 ttp180 -79.08 100.97 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.84 -127.03 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.535 ' OXT' ' CG ' ' C' ' 68' ' ' HIS . . . . . . . . 0 C--O 1.221 -0.671 0 CA-C-O 118.062 -1.41 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.51 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -86.92 121.65 29.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.484 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -127.94 147.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.08 150.82 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' C' ' 13' ' ' ILE . 61.0 t -131.9 95.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.337 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -79.43 122.8 26.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 16.9 p -73.64 141.94 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' C' ' 9' ' ' THR . 0.6 OUTLIER -31.66 -39.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.5 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 0.8 OUTLIER -173.86 71.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.326 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.99 -91.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.576 ' CG ' ' N ' ' C' ' 12' ' ' THR . 0.4 OUTLIER -133.44 166.7 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.732 -179.601 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' THR . . . . . 0.576 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.6 m -111.13 102.17 10.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' C' ' 5' ' ' VAL . 2.9 mt -83.8 148.29 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -125.59 127.62 46.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -123.86 147.07 47.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.954 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -98.38 86.44 3.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.252 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 1' ' ' MET . 15.7 m -104.38 -169.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -137.68 147.0 55.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.305 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.85 -17.31 0.26 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.86 2.374 . . . . 0.0 112.382 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -101.59 22.36 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.25 132.52 38.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.47 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -81.55 141.87 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.423 HG22 HD11 ' C' ' 23' ' ' ILE . 17.9 mm -45.6 -53.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.45 -39.21 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.388 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -63.41 -49.78 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.73 -53.17 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.252 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . 0.448 ' HZ1' ' H ' ' C' ' 43' ' ' LEU . 63.3 mttm -51.94 -34.53 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.282 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -57.39 -33.98 68.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 mt -67.84 -41.75 85.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.405 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -61.15 -40.74 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.01 -28.54 68.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.76 -64.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -87.24 -109.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.04 21.62 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.463 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 41.7 mt -96.47 101.9 10.0 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.642 0.258 . . . . 0.0 110.492 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.08 144.43 3.95 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.665 2.243 . . . . 0.0 111.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -61.64 0.57 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.736 2.29 . . . . 0.0 111.972 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -41.82 -34.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.93 55.37 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.743 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.6 mt-30 -153.34 154.46 34.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.47 ' NH2' ' O ' ' A' ' 515' ' ' SER . 34.3 ttp180 -153.33 95.05 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.448 ' H ' ' HZ1' ' C' ' 27' ' ' LYS . 17.7 mt -76.44 119.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.657 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 31.9 mt -119.02 140.27 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' C' ' 48' ' ' LYS . 82.1 t80 -147.89 141.75 25.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.52 40.52 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.45 99.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' C' ' 45' ' ' PHE . 58.5 mttp -145.42 119.41 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -75.83 132.46 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.64 119.69 27.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -71.58 158.42 36.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 104.75 13.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 148.86 -62.47 0.42 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' C' ' 53' ' ' GLY . 7.5 mmt-85 -46.53 175.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.446 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 46.7 p -115.35 172.63 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.4 -16.18 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.446 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 30.3 p -76.73 -32.63 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -39.9 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.68 23.24 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 p30 40.44 31.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.75 100.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.364 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.39 -164.24 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -78.57 161.25 27.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.659 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 57.76 32.78 22.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.611 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -87.13 129.84 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -91.47 92.26 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.05 124.27 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . 0.535 ' CG ' ' OXT' ' B' ' 76' ' ' GLY . 65.0 m80 -83.67 96.44 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 21.4 tp -77.74 114.72 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.95 138.75 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.68 166.75 15.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.598 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -137.1 145.77 44.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -171.98 64.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 19.0 ttp-105 -78.34 104.14 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.97 74.91 0.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 CA-C-O 117.967 -1.463 . . . . 0.0 110.875 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 483' ' ' THR . 2.8 p30 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 482' ' ' ASP . 77.6 p -47.22 -96.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -75.39 112.45 11.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.502 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 80.3 mt -51.09 -19.05 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 70.2 m -62.48 -57.98 9.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.579 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 27.4 p -48.61 -30.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.44 73.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.41 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.2 mm -45.49 -46.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.6 tp -45.88 -63.23 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.64 -67.69 1.57 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.544 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.1 mp -43.05 -32.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.524 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.401 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -58.62 -63.56 5.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.439 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.7 pp -74.97 8.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -87.87 -72.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.615 ' C ' ' H ' ' A' ' 499' ' ' GLY . 56.2 p90 -81.98 23.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.567 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 499' ' ' GLY . . . -65.65 12.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.615 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -40.02 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 499' ' ' GLY . 58.6 m -170.07 -33.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -164.54 94.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -115.51 131.38 56.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 15.7 p-10 -84.94 -12.3 53.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -80.25 -24.38 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.999 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 509' ' ' LEU . 24.6 t -74.5 -64.21 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.192 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' A' ' 510' ' ' LEU . 1.7 tp -55.69 -27.81 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -64.93 -61.04 6.17 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 511' ' ' PRO . 65.8 mt -84.67 -46.59 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.461 ' CB ' ' O ' ' A' ' 505' ' ' VAL . 0.2 OUTLIER -50.59 -57.02 9.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.619 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.3 tp -44.23 -65.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.984 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.688 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.69 -63.38 0.33 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.311 2.007 . . . . 0.0 111.785 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.47 -20.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.566 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -87.56 -34.5 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.616 ' C ' ' H ' ' A' ' 516' ' ' THR . . . -153.35 37.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.688 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -58.23 1.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.616 ' H ' ' C ' ' A' ' 514' ' ' ALA . 0.2 OUTLIER 80.34 101.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 516' ' ' THR . 11.2 t0 77.04 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 2.2 pp -173.95 147.71 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.21 110.05 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.798 2.332 . . . . 0.0 111.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 6.9 pt -88.46 26.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.78 -38.87 64.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.2 t -101.79 -15.47 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.414 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -80.02 -79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 69.9 mtp -45.38 -35.13 3.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.3 -56.83 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 58.6 p -46.53 -42.41 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.57 -51.88 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.564 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.6 -38.95 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -46.79 83.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.4 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -58.31 -47.33 84.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.514 ' C ' ' H ' ' A' ' 535' ' ' VAL . 95.6 t -78.06 -55.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.77 7.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 533' ' ' VAL . 14.7 p -46.3 -42.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -76.74 -69.62 1.37 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 89.9 m -82.13 113.27 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.81 -175.05 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -171.65 112.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.36 49.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 544' ' ' THR . 67.6 m-20 -41.67 -37.94 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.708 0.289 . . . . 0.0 110.604 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.44 -46.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 12.8 m -65.87 -46.19 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 19.4 p -46.74 -58.69 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.13 -58.62 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.341 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -30.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.4 tpt -73.88 -50.73 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -40.09 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.37 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.538 ' O ' ' N ' ' A' ' 553' ' ' ARG . 5.0 t30 -70.67 -58.14 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -40.59 -30.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.652 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.5 -76.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 42' ' ' ARG . 67.6 mm-40 -51.56 -19.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 549' ' ' ASN . 10.2 mmt85 42.21 45.85 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.742 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -87.94 -152.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.52 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 35.36 22.53 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.742 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.1 tp -93.28 2.58 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.67 -11.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 556' ' ' ILE . 21.7 tp -136.09 94.77 3.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.586 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 560' ' ' THR . 95.0 mttt -84.82 140.92 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 54.4 m -169.2 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.528 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 560' ' ' THR . 68.5 m-20 -158.39 124.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -167.01 -30.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.623 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 97.3 t -45.67 -38.14 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -57.8 -76.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -50.96 -50.41 58.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 44.2 tp -46.16 -50.5 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.86 75.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.38 -52.36 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -52.05 -64.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.1 tp -49.86 -11.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -91.47 -76.21 1.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 7.0 tp -50.45 -25.24 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.623 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -41.33 -72.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.437 ' CZ ' ' NE2' ' A' ' 580' ' ' GLN . 66.2 m-85 -75.5 121.46 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 6.1 mmt -79.29 -55.87 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -127.67 -150.05 7.28 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 54.9 67.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -54.31 -33.54 52.85 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.37 -51.05 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.6 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.437 ' NE2' ' CZ ' ' A' ' 574' ' ' TYR . 0.1 OUTLIER -44.76 -56.18 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.6 t -49.27 -51.87 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -40.93 -44.11 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.52 ' OD2' ' NE2' ' B' ' 68' ' ' HIS . 17.2 t70 -62.02 -50.95 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 91.2 t -50.54 -56.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 44.0 mt -45.96 -46.27 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.27 -44.92 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.5 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 590' ' ' ALA . 3.7 m -59.6 -66.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.64 -46.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 t -67.24 -34.08 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.513 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -47.67 -44.72 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.478 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 93.4 mt -90.61 155.84 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -60.21 -116.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.678 ' N ' ' HD1' ' A' ' 593' ' ' HIS . 0.2 OUTLIER 44.8 74.7 0.75 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 4.8 4.67 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.959 2.439 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.13 -22.03 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 6.9 p -82.03 -4.0 55.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 82.0 p -43.18 -49.67 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -48.44 -38.12 18.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.1 mt -73.09 -49.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -45.61 -43.29 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.01 -38.05 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.3 tt -58.12 -67.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.77 -34.94 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.93 95.1 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 6.1 t -61.93 -52.8 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.0 m -80.37 121.27 25.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.34 -168.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 42.67 -160.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 45.9 p -77.28 -65.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.605 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -51.61 135.5 33.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 16.0 p -75.66 -168.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.794 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.931 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.628 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.459 ' O ' ' OE2' ' B' ' 64' ' ' GLU . 96.5 mt-30 -99.82 105.32 17.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -96.51 145.71 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -102.18 131.02 48.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 t -111.88 107.55 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.217 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.444 ' HZ2' ' CG ' ' A' ' 583' ' ' ASP . 22.4 ttpt -85.79 134.36 33.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.687 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.556 ' C ' ' H ' ' B' ' 9' ' ' THR . 16.4 p -111.7 145.58 39.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.03 -5.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.556 ' H ' ' C ' ' B' ' 7' ' ' THR . 16.1 p -88.26 -5.78 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.02 -7.26 81.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -89.97 141.05 29.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.5 m -117.41 144.23 45.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mt -123.71 141.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -109.22 112.91 25.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' B' ' 15' ' ' LEU . 1.7 mm? -109.2 126.88 53.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.92 86.34 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.628 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.5 m -113.44 170.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.669 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 45.0 mm-40 -127.22 151.7 74.92 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.11 -26.14 2.11 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.873 2.382 . . . . 0.0 112.366 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 22.33 7.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.765 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.669 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.0 m-20 -94.06 137.37 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.543 ' OG1' ' ND2' ' B' ' 25' ' ' ASN . 2.5 p -86.48 143.63 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.63 -41.45 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.97 -41.1 77.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.451 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.638 ' N ' HD21 ' B' ' 25' ' ' ASN . 0.8 OUTLIER -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.39 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.32 -51.6 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.399 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -53.08 -42.33 65.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.76 76.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -55.64 -38.04 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.347 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.47 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.382 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.66 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.85 -30.83 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -74.97 -63.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -85.24 -87.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.85 6.77 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.0 mt -79.68 135.61 56.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.297 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.38 139.22 25.77 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.696 2.264 . . . . 0.0 111.971 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.645 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.28 -45.72 18.07 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.744 2.296 . . . . 0.0 112.075 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.9 22.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.645 ' H ' ' C ' ' B' ' 38' ' ' PRO . 61.2 mt-30 -154.07 50.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -149.3 143.1 25.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' A' ' 552' ' ' GLU . 37.0 ttm105 -134.23 108.62 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.09 128.37 46.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.631 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.417 HG23 HD13 ' B' ' 44' ' ' ILE . 72.0 mt -125.98 134.48 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.9 t80 -117.33 175.28 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.587 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.49 -29.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.42 -89.58 0.66 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -146.58 -149.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.543 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.1 137.48 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -87.68 111.27 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 1.3 mp0 -79.99 157.67 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.24 147.74 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 100.3 -68.94 0.5 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -43.28 166.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.684 0.278 . . . . 0.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.5 p -112.69 174.46 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.05 -15.39 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.7 p -80.5 -15.98 55.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.2 -4.72 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.53 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -120.09 11.23 11.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.684 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 55.94 27.42 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -76.36 119.09 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -93.72 -165.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.97 157.8 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.459 ' OE2' ' O ' ' B' ' 2' ' ' GLN . 5.0 mm-40 57.9 24.37 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.574 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.8 m -77.24 130.69 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 m -90.88 106.5 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -93.49 169.75 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.52 ' NE2' ' OD2' ' A' ' 583' ' ' ASP . 7.9 m80 -117.8 108.23 15.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.392 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -94.36 142.4 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.46 127.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.12 161.06 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -57.48 -161.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 73' ' ' LEU . 2.8 mm? -71.71 85.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.431 ' CZ ' ' OD1' ' A' ' 541' ' ' ASP . 56.8 ttt180 -55.74 103.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.4 48.7 1.22 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.759 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.921 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.553 ' N ' ' O ' ' C' ' 17' ' ' VAL . 30.1 ttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -85.03 112.8 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.3 pt -118.63 152.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.641 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' OG1' ' C' ' 14' ' ' THR . 96.4 m-85 -107.27 147.78 29.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.1 t -131.79 95.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.7 120.99 24.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.597 ' OG1' ' N ' ' C' ' 10' ' ' GLY . 30.1 p -74.36 142.59 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.139 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.436 ' O ' ' CG2' ' C' ' 9' ' ' THR . 18.8 tp -43.45 -41.59 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.296 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 24.1 p -159.19 60.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.244 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . 0.597 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -144.93 -82.34 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.595 ' N ' ' OG1' ' C' ' 7' ' ' THR . 0.1 OUTLIER -164.63 169.14 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.404 . . . . 0.0 110.799 -179.586 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' THR . . . . . 0.481 ' N ' ' HG3' ' C' ' 11' ' ' LYS . 24.2 m -97.07 108.94 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.509 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.29 137.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.725 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' THR . . . . . 0.447 ' OG1' ' CE1' ' C' ' 4' ' ' PHE . 78.2 m -111.09 122.02 46.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -121.74 135.7 54.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.757 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -88.58 78.35 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.0 m -95.87 -170.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.42 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 31.6 mt-10 -141.25 145.94 40.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.349 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.43 -24.2 2.54 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.861 2.374 . . . . 0.0 112.34 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.9 6.06 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 12.3 m-20 -86.6 141.7 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -173.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.412 ' O ' ' C ' ' C' ' 23' ' ' ILE . 1.4 p -91.38 136.78 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.554 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.2 mm -39.37 -54.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -48.15 -44.18 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.425 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' C' ' 22' ' ' THR . 35.9 t-20 -58.11 -48.43 80.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -55.41 -53.83 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -48.69 -35.99 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.239 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.75 -49.94 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.244 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.71 -31.86 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.52 -46.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.86 -39.1 57.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -67.45 -62.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.01 -97.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.16 6.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 44.2 mt -78.88 126.96 81.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -73.43 144.66 36.77 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.585 2.19 . . . . 0.0 111.94 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.618 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.43 -48.3 13.76 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.831 2.354 . . . . 0.0 112.011 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.3 29.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.618 ' H ' ' C ' ' C' ' 38' ' ' PRO . 63.9 mt-30 -154.1 10.12 0.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 82.8 mt-30 -114.33 155.82 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.533 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -150.19 108.65 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.17 111.81 20.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 33.6 mt -115.18 123.97 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.512 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -119.32 107.05 12.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.78 25.07 14.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.88 65.03 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -100.77 105.48 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.644 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.28 130.61 41.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.43 131.39 34.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 9.6 mp0 -89.44 158.62 17.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.557 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.2 OUTLIER -70.39 163.23 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.59 -63.5 4.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 31.0 mmt-85 -46.82 165.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.548 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 54.6 p -111.48 166.83 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.92 -17.46 64.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -78.76 -19.77 51.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -82.21 9.84 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -135.87 9.59 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 58.01 27.14 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.619 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -76.72 90.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -76.22 -157.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.665 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -81.15 159.73 24.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 58.52 34.36 23.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.722 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -90.07 129.58 36.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -90.67 115.28 27.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -106.57 121.36 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -81.06 103.65 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.94 119.29 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -116.87 149.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.487 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tp -87.29 157.55 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 65.83 146.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.656 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . 0.584 ' N ' ' CD2' ' C' ' 73' ' ' LEU . 1.2 pt? -155.42 46.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 54.01 62.0 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.555 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.24 97.39 0.12 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.743 0 CA-C-O 117.975 -1.459 . . . . 0.0 110.991 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 487' ' ' SER . 53.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.766 0.317 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 487' ' ' SER . . . . . 0.428 ' N ' ' OG ' ' A' ' 486' ' ' SER . 51.2 p -46.73 -47.23 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.71 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -64.88 -66.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 15.5 mm -49.01 -39.62 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.58 -48.17 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.39 94.42 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.9 mp -59.94 -45.58 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.527 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.76 -40.6 72.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 495' ' ' ILE . 71.8 mt -81.88 -10.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.582 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.45 -76.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -87.32 28.21 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.72 -66.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.38 75.6 0.57 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 35.0 t -163.22 94.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -71.91 52.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -83.69 126.66 33.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -72.16 5.79 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.688 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -83.67 -66.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.94 -47.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.3 -43.06 98.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.12 -9.73 12.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 82.9 mt -111.45 -39.57 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.714 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 509' ' ' LEU . 61.3 mt -67.96 -54.4 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.513 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mt -43.12 -64.07 0.83 Allowed Pre-proline 0 C--N 1.331 -0.227 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.433 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.63 -55.59 3.45 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.602 2.202 . . . . 0.0 111.51 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 512' ' ' ILE . 76.3 mt -61.85 -11.0 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -103.36 -22.1 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' B' ' 73' ' ' LEU . . . -163.19 50.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.726 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.6 p -88.88 9.43 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.6 p 49.1 63.39 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 518' ' ' LEU . 26.1 t70 -173.71 -103.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -34.68 155.09 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -44.83 -175.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.952 2.435 . . . . 0.0 112.129 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.96 9.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 523' ' ' ALA . 89.7 mt-10 -64.12 -88.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.621 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 51.1 p -52.77 -7.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 521' ' ' GLU . . . -71.78 -61.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -45.28 -62.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.4 mtt -43.08 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.42 -55.15 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 20.3 p -41.28 -45.83 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.624 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.51 -41.13 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.0 -52.37 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.35 -53.65 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.49 -46.29 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.01 -47.27 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 535' ' ' VAL . 73.2 t -70.11 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.608 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.79 19.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 536' ' ' GLY . 8.3 p -47.06 -42.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.517 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -83.62 -77.61 1.11 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 64.7 m -74.88 110.86 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 20.7 p -89.78 126.14 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.473 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -83.33 -178.59 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 542' ' ' ILE . . . -96.15 -55.68 1.26 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -44.4 -22.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.422 ' N ' ' C ' ' A' ' 540' ' ' GLY . 96.7 mt -77.47 -78.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 4.7 m -42.8 -25.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 548' ' ' ASP . 22.6 p -70.4 -53.84 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.522 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -48.14 71.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.189 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.25 -39.54 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.473 ' C ' ' H ' ' A' ' 549' ' ' ASN . 19.4 ttm -70.79 -56.17 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.212 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 544' ' ' THR . 27.4 m-20 -54.02 -8.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.265 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 553' ' ' ARG . 61.3 t30 -87.45 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.191 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -46.58 -25.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.394 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.31 -79.6 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.374 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.515 ' CG ' HH12 ' B' ' 42' ' ' ARG . 15.0 mt-10 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.201 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 549' ' ' ASN . 9.2 ttp180 70.83 -78.43 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.736 ' O ' ' HB ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 54.94 -104.27 0.21 Allowed 'General case' 0 CA--C 1.543 0.682 1 N-CA-C 97.59 -4.967 . . . . 0.0 97.59 -169.607 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.693 ' C ' ' O ' ' A' ' 554' ' ' THR . . . -15.8 82.43 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -165.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.736 ' HB ' ' O ' ' A' ' 554' ' ' THR . 21.0 tt -130.93 -8.66 2.15 Favored 'Isoleucine or valine' 1 C--O 1.123 -5.585 0 C-N-CA 129.131 2.972 . . . . 0.0 110.999 -167.771 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 556' ' ' ILE . 29.4 mm-40 -34.65 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.364 1.233 1 O-C-N 129.288 4.117 . . . . 0.0 110.429 177.241 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 556' ' ' ILE . 47.2 mt -148.19 -179.93 7.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 560' ' ' THR . 57.1 tttm -172.46 145.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 29.3 m -167.82 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.466 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 40.5 p-10 -165.02 105.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -159.39 -8.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.41 -18.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -71.43 -55.13 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.61 -35.96 82.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.39 -55.59 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.65 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.46 -50.97 61.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -51.59 -56.94 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -45.6 -29.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.22 -66.38 1.92 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.5 pt -67.57 -6.46 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 569' ' ' ALA . 43.1 tp -46.21 -30.86 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -105.41 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 55.1 mtp -70.48 -43.74 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 151.72 -81.35 0.18 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -77.1 104.05 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -177.42 123.65 0.9 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -64.63 -6.2 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -50.36 -50.17 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 582' ' ' ASP . 8.5 p -56.45 -43.67 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.553 ' N ' HG13 ' A' ' 581' ' ' VAL . 1.1 m-20 -47.16 -47.1 23.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.29 -50.45 73.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.6 t -46.82 -56.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 68.2 mt -49.58 -35.4 20.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -60.09 -33.73 72.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 4.4 m -72.17 -45.32 60.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.543 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.74 -30.94 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 30.7 t -80.72 -31.18 36.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.05 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.1 tt -104.72 149.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.08 -134.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.511 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.94 73.8 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.43 14.65 0.92 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.038 2.492 . . . . 0.0 111.982 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 43.4 mtm -78.95 -38.36 37.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 596' ' ' THR . 0.0 OUTLIER -74.84 -2.43 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 62.5 m -41.34 -52.92 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.7 -41.83 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 602' ' ' LEU . 18.3 mt -67.28 -49.6 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.26 -30.96 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 36.2 t -79.36 -30.51 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.499 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -67.8 -67.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.71 -42.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.68 -60.52 8.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 23.7 p -45.22 -35.96 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.6 m -82.01 -178.83 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.595 ' HB3' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -101.95 106.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -102.42 151.87 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.09 156.85 17.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.21 106.24 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.129 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -92.18 121.26 33.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p -84.87 161.19 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.72 4.48 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.6 p -93.41 -52.35 4.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.07 57.65 0.02 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -165.72 153.54 10.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' B' ' 13' ' ' ILE . 89.9 m -121.03 155.57 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' B' ' 12' ' ' THR . 0.1 OUTLIER -134.48 129.26 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.666 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.531 ' C ' HD12 ' B' ' 15' ' ' LEU . 17.1 m -97.91 103.4 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.531 HD12 ' C ' ' B' ' 14' ' ' THR . 11.3 mp -108.99 132.2 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -88.12 113.11 23.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.4 m -133.38 -168.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.912 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.1 mt-10 -140.44 179.31 1.29 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.071 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.513 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.4 Cg_exo -74.63 -35.91 3.23 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.738 2.292 . . . . 0.0 112.169 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -76.26 -11.93 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.2 m-20 -60.43 135.86 57.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.534 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 4.1 p -89.98 136.1 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -41.98 -39.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.342 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.35 -45.02 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.316 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.434 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 2.9 m-20 -60.17 -38.12 82.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.224 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.66 -53.98 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -49.38 -40.36 35.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.272 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.9 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.324 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -53.67 -36.71 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.372 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -67.74 -49.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -52.16 -33.3 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.434 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -74.65 -35.86 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.47 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -68.18 -57.75 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.473 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.3 -95.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.71 6.95 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.466 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 68.5 mt -73.18 129.65 85.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.65 0.262 . . . . 0.0 110.433 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.97 138.29 25.53 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.588 2.192 . . . . 0.0 111.935 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.29 -50.66 9.82 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.3 . . . . 0.0 112.006 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.71 -3.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.543 ' H ' ' C ' ' B' ' 38' ' ' PRO . 28.3 mt-30 -135.02 68.53 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -152.82 157.63 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.716 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.515 HH12 ' CG ' ' A' ' 552' ' ' GLU . 22.0 ttm180 -151.09 103.78 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -100.07 125.41 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 mt -124.21 142.12 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.257 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.3 t80 -143.23 160.83 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.29 90.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 149.46 -61.88 0.42 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -175.91 -151.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -97.0 145.81 25.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -88.39 117.9 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.59 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -85.31 158.6 20.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.75 152.56 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 91.82 -66.33 2.24 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -40.89 164.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.648 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -110.54 155.5 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 56' ' ' LEU . 83.8 mt -56.03 -16.86 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.513 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 14.9 m -74.8 -38.34 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -54.48 -41.82 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.651 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -87.58 18.34 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.61 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.408 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 1.6 p-10 42.21 32.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.89 110.84 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.413 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -87.11 -172.07 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HB3' ' HB3' ' B' ' 1' ' ' MET . 14.6 ptpt -74.85 161.21 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 58.77 26.46 14.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -86.79 132.01 33.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -85.29 118.18 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.525 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.45 112.29 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -74.13 106.77 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.5 tp -99.56 133.79 43.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 t -136.91 144.53 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.541 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.7 mp -81.17 167.72 19.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.692 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 61.6 ttt180 -65.44 168.01 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 13.5 tp -79.55 92.69 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -134.62 -152.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.25 128.19 1.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.853 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.453 ' HB3' ' HB3' ' C' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -105.37 105.58 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.626 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 pt -95.98 149.19 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -105.46 148.77 26.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.56 95.71 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.153 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -81.2 130.05 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' THR . . . . . 1.001 HG23 ' O ' ' C' ' 11' ' ' LYS . 9.7 p -90.63 143.72 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.176 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.594 HD11 HG13 ' C' ' 70' ' ' VAL . 84.6 mt -36.13 -48.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.575 HG23 ' O ' ' C' ' 8' ' ' LEU . 21.6 p -158.96 51.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.377 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLY . . . . . 0.664 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -128.48 -71.48 0.15 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 1.001 ' O ' HG23 ' C' ' 7' ' ' THR . 0.0 OUTLIER -174.84 169.92 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.963 0.411 . . . . 0.0 110.775 -179.623 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.558 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 11.5 m -103.17 101.42 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 13' ' ' ILE . 1.6 mt -86.53 137.59 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -111.25 127.59 55.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.111 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mt -128.1 135.64 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.833 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.22 107.34 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.4 m -127.57 -172.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 1.6 mt-10 -135.7 178.47 1.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.109 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -74.77 -26.49 11.36 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.745 2.297 . . . . 0.0 112.135 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.46 1.18 55.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 5.3 m-20 -73.57 136.06 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -88.85 141.55 28.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.747 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 27.1 mm -45.63 -51.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.349 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -48.73 -42.33 34.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.306 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 26.0 t-20 -60.09 -45.53 92.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.189 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.92 -52.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.146 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -50.52 -34.51 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.21 -44.64 83.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -60.14 -34.69 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.39 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mt -70.6 -44.84 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -57.82 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -74.8 -34.42 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.46 -108.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.1 12.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -82.63 121.45 77.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 110.494 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.92 141.91 34.09 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.641 2.227 . . . . 0.0 111.88 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.61 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -46.75 16.07 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -61.43 8.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.61 ' H ' ' C ' ' C' ' 38' ' ' PRO . 34.5 mm-40 -141.88 35.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -126.87 171.44 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -172.12 95.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.68 117.58 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.961 HD12 HG21 ' C' ' 70' ' ' VAL . 48.3 mt -114.79 132.45 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -133.34 128.84 36.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.553 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.67 28.68 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.41 -14.17 55.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' C' ' 48' ' ' LYS . 1.4 mptm? -89.13 114.6 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.315 . . . . 0.0 110.616 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -74.31 134.61 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.68 131.89 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -93.28 159.13 15.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.05 157.56 36.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.521 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 92.31 -62.18 2.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 53' ' ' GLY . 25.8 mmt-85 -42.93 168.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 39.1 p -118.69 156.7 28.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.409 ' CD1' HG21 ' C' ' 17' ' ' VAL . 78.6 mt -59.07 -12.69 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -83.57 -30.88 26.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.65 -39.3 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.82 -1.96 57.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.63 1.67 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -46.09 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.02 -160.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' C' ' 1' ' ' MET . 50.0 pttt -80.3 160.2 25.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.768 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 54.01 25.89 5.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.73 129.84 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -86.65 111.97 21.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.31 125.79 50.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -81.82 105.17 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.18 112.49 15.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.961 HG21 HD12 ' C' ' 44' ' ' ILE . 2.2 t -120.2 155.4 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.734 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 20.9 mt -102.78 163.7 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.385 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.812 0.339 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 67.9 m -64.37 -48.86 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -55.73 -29.23 59.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.58 49.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.2 -35.33 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.31 -70.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.518 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -44.41 -39.36 5.63 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 6.7 tp -68.06 -35.92 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 110.507 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.5 -35.31 61.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.83 -16.9 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -64.95 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 45.4 p90 -83.71 27.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.58 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.493 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -94.08 -150.59 27.1 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 15.5 p 43.58 71.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -72.8 53.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.53 -172.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.648 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -101.58 10.43 40.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.427 ' HG3' ' HZ1' ' C' ' 6' ' ' LYS . 71.6 tt0 -91.18 -46.93 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.208 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 16.0 t -41.86 -50.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.383 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 506' ' ' LEU . 9.9 mp -80.29 -36.62 34.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.525 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.02 1.7 1.24 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.513 HD11 ' O ' ' C' ' 8' ' ' LEU . 8.8 tp -139.63 -47.49 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.622 HD23 ' C ' ' A' ' 509' ' ' LEU . 4.8 tt -65.29 -54.79 23.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.544 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.4 tp -43.21 -62.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.766 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -47.23 -51.13 9.96 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.356 2.038 . . . . 0.0 111.677 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.8 mt -53.32 -17.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -83.87 -38.4 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -151.98 50.99 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.721 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -83.91 21.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 63.3 p 50.43 54.4 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.62 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -177.39 -30.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.602 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.6 mm? -85.45 141.78 37.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -46.89 -172.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.746 2.297 . . . . 0.0 111.915 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.655 HD11 ' O ' ' A' ' 555' ' ' ALA . 59.3 mt -104.88 -29.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -64.23 -68.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 32.0 p -49.54 -34.81 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -68.25 -49.78 58.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.83 60.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.4 mtt -71.56 -36.08 70.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -58.14 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.8 t -58.29 -31.01 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.8 tt -56.42 -59.89 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.71 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.1 tt -43.39 -50.71 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.84 -43.46 92.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -46.1 -49.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.452 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.6 t -72.54 -58.82 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.535 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -77.24 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 536' ' ' GLY . 15.0 p -47.6 -40.68 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.5 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -81.13 -99.34 0.37 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.02 110.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.408 ' SG ' HD11 ' A' ' 573' ' ' LEU . 28.6 t -94.93 131.17 41.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.76 178.19 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 542' ' ' ILE . . . -100.19 -57.33 0.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.524 ' CG ' HH22 ' B' ' 74' ' ' ARG . 72.1 m-20 -41.0 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 0.0 110.625 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 540' ' ' GLY . 97.1 mt -72.97 -59.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 10.2 m -58.28 -40.21 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 75.2 p -54.15 -57.58 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 70.8 p -60.16 -53.37 58.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.391 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.26 -37.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.09 -39.6 60.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.461 ' OD2' ' O ' ' B' ' 71' ' ' LEU . 76.8 m-20 -48.63 -36.15 15.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.222 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 553' ' ' ARG . 13.7 m-20 -77.84 -58.29 3.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -40.36 -36.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.434 ' HB2' HH22 ' B' ' 42' ' ' ARG . 37.4 mt -91.01 -77.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.6 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.12 -43.54 98.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.859 ' O ' ' C ' ' A' ' 554' ' ' THR . 26.6 ttm-85 72.68 -61.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.859 ' C ' ' O ' ' A' ' 553' ' ' ARG . 0.0 OUTLIER 26.77 -123.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 1 N-CA-C 97.718 -4.919 . . . . 0.0 97.718 -179.733 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.673 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 15.36 50.46 0.0 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.751 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -108.82 -2.63 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.717 -179.011 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' ILE . 33.2 mt-10 -33.84 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 556' ' ' ILE . 85.2 mt -137.07 175.85 9.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.353 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.444 ' O ' ' OG1' ' A' ' 560' ' ' THR . 34.6 pttt -176.27 127.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.693 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 m -168.62 68.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.508 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 560' ' ' THR . 36.2 t0 59.68 121.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.41 ' H ' ' H ' ' A' ' 563' ' ' VAL . 24.0 p-90 -179.42 -0.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.41 ' H ' ' H ' ' A' ' 562' ' ' TRP . 11.8 p -70.41 -35.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -60.01 -49.46 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -66.64 -53.08 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 tp -47.73 -56.38 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.87 -29.86 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 568' ' ' LEU . 1.7 tt -63.38 -59.73 4.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.7 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -53.69 -23.06 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -77.64 -66.59 1.75 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 572' ' ' ILE . 11.1 tp -63.92 -20.24 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.629 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.408 HD11 ' SG ' ' A' ' 538' ' ' CYS . 19.3 tp -46.0 -63.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.487 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -80.01 112.65 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.1 ttt -43.98 -80.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 169.43 -174.83 43.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 44.89 73.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -179.79 131.37 1.64 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -68.52 3.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.669 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 578' ' ' GLY . 21.2 mt-30 -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.57 -36.89 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -54.09 -54.31 41.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 586' ' ' GLU . 16.2 t70 -55.54 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.8 t -40.96 -52.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.43 -33.1 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 583' ' ' ASP . 11.5 tt0 -60.94 -37.92 84.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.506 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.5 OUTLIER -65.45 -51.18 61.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.3 mt -48.37 -31.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.1 t -85.48 -21.82 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.531 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -67.97 -37.06 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 592' ' ' GLU . 2.4 tp -83.23 154.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.511 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 591' ' ' ILE . 94.3 mt-10 -59.48 -127.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.512 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 44.1 75.5 0.64 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.28 -0.62 10.27 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.024 2.483 . . . . 0.0 111.971 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 4.5 ptm -73.21 -10.62 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 44.6 p -79.5 -3.58 47.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 5.9 t -43.3 -45.76 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.93 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.88 -27.67 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -62.97 -50.94 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.22 -34.07 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.88 -69.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.57 -19.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.5 -64.75 2.83 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 m -53.67 -59.48 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.643 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 53.6 t -75.6 118.79 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.458 ' N ' ' O ' ' B' ' 17' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -105.68 121.15 43.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -124.44 153.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.454 ' HE1' ' HG1' ' B' ' 14' ' ' THR . 61.9 m-85 -106.3 143.84 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -123.56 105.75 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.314 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -80.78 158.6 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.713 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.3 p -139.3 143.43 37.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.8 -3.66 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.538 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -94.68 12.11 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.03 72.38 0.85 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -170.38 140.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 110.611 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -124.44 113.72 18.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.422 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -98.21 133.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.454 ' HG1' ' HE1' ' B' ' 4' ' ' PHE . 15.8 m -101.64 119.46 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.234 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.13 135.04 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -90.57 93.14 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.25 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.1 m -115.35 -166.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 2.5 mt-10 -136.93 177.71 2.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.037 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.16 -24.43 12.58 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.81 2.34 . . . . 0.0 112.35 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -89.1 -11.03 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.1 m-20 -60.16 141.52 55.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.666 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 67.3 p -92.29 147.46 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.66 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.628 HG22 ' HZ2' ' B' ' 27' ' ' LYS . 19.8 mm -50.0 -48.82 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.367 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -50.78 -41.02 56.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.335 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.484 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 14.2 t-20 -62.28 -43.97 97.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.331 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.25 -48.45 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.628 ' HZ2' HG22 ' B' ' 23' ' ' ILE . 42.7 mttp -53.62 -44.09 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.226 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.12 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.484 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.6 mttp -56.06 -43.93 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.216 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.27 -44.64 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.358 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.06 -42.57 89.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.474 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -69.85 -66.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.57 -110.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.06 25.65 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.562 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 49.8 mt -95.42 115.51 65.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.61 0.243 . . . . 0.0 110.511 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.04 137.94 12.9 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.65 2.233 . . . . 0.0 111.814 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -52.87 6.73 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.745 2.296 . . . . 0.0 112.036 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -70.1 38.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.502 ' H ' ' C ' ' B' ' 38' ' ' PRO . 52.9 mt-30 -158.11 40.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 33.2 mt-30 -146.02 110.82 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.819 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.434 HH22 ' HB2' ' A' ' 551' ' ' LEU . 72.3 mtp180 -89.93 108.18 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.1 121.82 39.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.939 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.47 139.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.17 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' B' ' 47' ' ' GLY . 84.9 t80 -153.6 116.8 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 47' ' ' GLY . . . 38.15 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.762 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -35.97 -75.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -174.87 -141.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.902 0.382 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -87.52 130.62 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.328 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.431 ' N ' HD23 ' B' ' 50' ' ' LEU . 8.2 mt -80.69 119.47 23.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.631 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -71.04 159.85 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -83.72 101.25 11.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.52 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 150.68 -63.27 0.4 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.697 ' HE ' ' N ' ' B' ' 54' ' ' ARG . 3.9 mmp_? -46.92 176.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.559 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 53.5 p -111.38 176.86 4.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' B' ' 17' ' ' VAL . 63.5 mt -80.23 3.15 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.734 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.414 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 20.7 p -92.29 -38.99 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -58.57 -29.44 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -95.48 8.66 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 52.16 28.07 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.09 104.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.99 -157.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -88.17 157.55 18.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.744 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.78 29.76 16.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -88.38 128.74 35.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.403 ' C ' HD12 ' B' ' 67' ' ' LEU . 10.6 m -88.9 110.55 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.565 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.7 mp -92.93 112.12 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.474 ' NE2' ' OD2' ' A' ' 583' ' ' ASP . 14.6 m80 -69.62 112.98 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.741 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.4 tt -102.58 125.77 49.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.712 ' N ' HD23 ' B' ' 69' ' ' LEU . 29.2 t -124.56 162.8 25.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.535 ' N ' HG12 ' B' ' 70' ' ' VAL . 5.0 mp -130.0 138.98 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' B' ' 74' ' ' ARG . 91.7 mtt180 -61.02 -171.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.936 HD22 ' H ' ' B' ' 73' ' ' LEU . 2.0 mm? -65.55 69.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.524 HH22 ' CG ' ' A' ' 541' ' ' ASP . 33.4 ttp85 -65.5 -1.44 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.96 -142.69 41.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.027 -1.43 . . . . 0.0 110.983 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.503 ' N ' ' O ' ' C' ' 17' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -82.21 117.64 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.41 HD12 HD22 ' C' ' 67' ' ' LEU . 6.1 pt -120.62 150.86 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.518 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.49 95.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.251 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LYS . . . . . 0.427 ' HZ1' ' HG3' ' A' ' 504' ' ' GLU . 31.1 ttpt -79.63 123.15 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.71 HG23 ' O ' ' C' ' 11' ' ' LYS . 74.9 p -70.63 150.1 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.211 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.736 HD13 HG13 ' C' ' 70' ' ' VAL . 16.1 tp -36.14 -28.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.573 HG22 ' C ' ' C' ' 8' ' ' LEU . 0.0 OUTLIER 167.87 73.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.489 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.01 -75.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.71 ' O ' HG23 ' C' ' 7' ' ' THR . 24.1 tttp -140.83 162.71 34.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.68 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.565 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 88.2 m -114.95 113.89 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.392 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.34 154.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.636 ' C ' HD12 ' C' ' 15' ' ' LEU . 4.7 m -122.53 109.21 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.636 HD12 ' C ' ' C' ' 14' ' ' THR . 10.6 mp -111.23 140.12 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.929 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -93.49 121.87 35.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.103 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' C' ' 1' ' ' MET . 3.7 m -144.49 -175.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.958 0.409 . . . . 0.0 110.944 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.593 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 34.8 mt-10 -132.2 147.45 65.8 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.134 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -30.43 7.28 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.969 2.446 . . . . 0.0 112.55 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -82.16 -12.29 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.118 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.593 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 21.1 m-20 -59.37 141.97 53.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.919 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -90.26 144.17 26.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.582 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -47.58 -55.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -46.31 -41.52 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.366 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -61.04 -42.04 97.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.235 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.32 -46.02 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.151 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -54.47 -41.32 69.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.123 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.04 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.17 -38.7 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.226 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.67 -40.69 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.328 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.452 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 34.1 tp60 -58.76 -38.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.344 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.97 -35.16 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.45 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -92.63 -108.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.98 19.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 40.0 mt -89.36 107.68 19.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.495 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.14 143.42 4.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.652 2.234 . . . . 0.0 111.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.93 -58.24 1.76 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.767 2.312 . . . . 0.0 112.012 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -48.72 -32.46 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.679 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -92.94 53.89 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 54.7 mt-30 -156.57 147.99 22.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.61 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.504 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 2.4 tpt180 -144.87 106.78 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.15 118.64 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.947 HD12 HG21 ' C' ' 70' ' ' VAL . 41.3 mt -120.58 123.98 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 50.4 t80 -140.87 154.91 46.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 44.04 42.7 5.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.67 46.2 59.55 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -159.73 135.24 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.644 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.504 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 34.2 tt0 -76.67 136.02 39.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.81 122.9 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -80.5 158.35 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 165.51 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.96 -64.35 4.25 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 12.9 mmt85 -46.25 168.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.6 p -111.29 171.12 7.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' C' ' 17' ' ' VAL . 62.3 mt -67.01 -14.52 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.442 ' C ' ' H ' ' C' ' 59' ' ' TYR . 83.6 p -77.31 -29.74 53.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' C' ' 58' ' ' ASP . 1.5 m-20 -74.01 15.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.692 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' C' ' 57' ' ' SER . 89.8 m-85 -144.97 20.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' C' ' 60' ' ' ASN . 2.0 p-10 43.14 36.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -81.6 97.3 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.353 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -82.18 -168.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.714 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.3 160.2 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 56.61 35.15 25.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.734 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -91.95 135.79 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -88.92 112.29 23.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.41 HD22 HD12 ' C' ' 3' ' ' ILE . 8.7 mp -98.89 112.42 24.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -73.22 102.09 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.17 117.04 22.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.947 HG21 HD12 ' C' ' 44' ' ' ILE . 1.4 t -122.54 121.84 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.461 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.93 144.34 36.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.786 0.326 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 29.4 t -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.0 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -60.72 -69.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.1 mm -55.76 -25.28 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.8 tt -59.46 -67.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.494 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.4 -48.45 85.94 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 1.9 tp -60.77 -31.76 71.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.537 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -58.46 -55.34 31.29 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.9 tt -78.52 -7.23 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 0.0 110.684 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -69.13 -67.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 1.6 p90 -79.34 28.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -54.17 -59.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.517 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -101.55 66.57 0.45 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 68.9 p -156.17 77.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -86.5 57.48 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -94.94 177.4 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.75 3.6 40.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.527 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 32.1 tt0 -89.1 -57.02 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 31.9 t -41.09 -47.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.582 ' C ' ' H ' ' A' ' 508' ' ' LEU . 64.7 mt -72.41 -51.63 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -50.67 -3.69 0.05 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.582 ' H ' ' C ' ' A' ' 506' ' ' LEU . 9.5 tp -121.0 -56.71 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.78 -33.76 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.545 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.0 tp -62.13 -62.35 5.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.778 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.598 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -46.51 -55.45 3.76 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.419 2.079 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.94 -21.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.398 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -85.24 -23.74 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -169.65 59.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.657 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.1 p -74.28 -6.68 49.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.413 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.6 46.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -171.33 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 519' ' ' PRO . 19.3 mt -91.41 143.51 28.3 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.488 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -46.54 -173.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.754 2.302 . . . . 0.0 112.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 558' ' ' LEU . 7.9 mt -97.92 -21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -51.63 -93.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.5 p -41.3 -43.97 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.654 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.88 -53.59 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.24 -36.87 53.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.2 tpt -63.21 -51.54 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.47 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.496 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -60.85 -58.59 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.454 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.34 -55.0 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.0 -37.59 6.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -60.43 -41.58 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.467 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.45 -46.28 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.516 ' C ' ' H ' ' A' ' 535' ' ' VAL . 60.7 t -67.37 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.654 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.39 26.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.516 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.7 p -48.57 -30.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.51 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.57 -101.5 0.47 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 537' ' ' THR . 0.2 OUTLIER -62.21 121.23 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.547 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 573' ' ' LEU . 94.1 m -96.71 127.82 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.445 ' CG ' ' H ' ' A' ' 540' ' ' GLY . 9.4 t-20 -84.21 -178.21 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.445 ' H ' ' CG ' ' A' ' 539' ' ' ASN . . . -98.01 -55.8 1.11 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.477 ' O ' ' OG1' ' A' ' 544' ' ' THR . 63.8 m-20 -42.88 -31.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.39 -46.37 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.5 m -70.44 -23.55 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 32.9 p -69.08 -54.25 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 63.0 p -63.12 -51.28 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.223 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 547' ' ' MET . 0.9 OUTLIER -52.58 -50.4 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.315 179.741 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.456 ' N ' HG22 ' A' ' 546' ' ' ILE . 81.2 mmm -61.57 -49.17 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -46.59 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.249 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 553' ' ' ARG . 31.9 t-20 -54.3 -60.21 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.184 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -45.8 -34.31 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.358 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 42.1 mt -83.08 -77.18 0.25 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.538 ' CG ' HH12 ' B' ' 42' ' ' ARG . 27.1 mt-10 -55.17 -43.34 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.1 OUTLIER 71.01 -23.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.89 ' C ' ' H ' ' A' ' 556' ' ' ILE . 99.1 m -28.09 -40.65 0.02 OUTLIER 'General case' 0 C--N 1.26 -3.29 0 CA-C-O 125.327 2.489 . . . . 0.0 111.002 -162.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.747 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . -45.64 3.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 112.712 -2.04 . . . . 0.0 109.56 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.89 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -42.66 -3.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.286 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.739 ' N ' ' O ' ' A' ' 555' ' ' ALA . 33.9 mt-10 -78.49 70.22 4.81 Favored 'General case' 0 CA--C 1.547 0.849 1 N-CA-C 98.972 -4.455 . . . . 0.0 98.972 -175.635 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 558' ' ' LEU . 1.4 pt? -110.14 -179.85 3.9 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.457 ' N ' ' HG ' ' A' ' 558' ' ' LEU . 56.6 tttm -145.91 -11.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.5 p -148.14 -137.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.657 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -78.16 166.81 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 8.1 p90 -171.38 -45.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.609 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.8 p -49.99 -24.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -72.3 -74.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -55.14 -48.19 74.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 tp -49.77 -56.76 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.54 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.72 75.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.3 tp -45.79 -43.53 13.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.43 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.22 -4.15 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -86.58 -61.34 1.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.3 tt -76.64 -14.8 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.472 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 19.9 tp -43.21 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -64.12 121.24 13.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.582 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 1.0 OUTLIER -80.36 -67.14 0.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.582 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -73.72 63.93 1.89 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -49.74 144.13 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.594 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 162.36 -133.63 3.18 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -57.42 -23.21 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -58.84 -51.24 70.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.54 -34.57 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.89 -42.81 80.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -65.97 -41.35 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -50.68 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.72 -47.95 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -49.1 -44.68 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 1.3 m -64.91 -49.54 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.27 -21.06 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.518 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 48.8 m -90.09 -25.9 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.25 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 2.3 tp -87.67 156.83 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.551 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -70.09 -114.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 595' ' ' MET . 36.4 m80 41.15 53.03 6.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.49 -10.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.019 2.48 . . . . 0.0 112.02 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 593' ' ' HIS . 10.7 mmt -76.69 -12.27 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 59.8 p -81.89 -9.99 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 9.9 t -45.79 -42.74 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.07 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.96 -47.36 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.626 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -53.24 -46.91 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.1 -26.18 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 602' ' ' LEU . 2.1 tt -76.84 -71.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.05 -33.59 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.17 -49.33 62.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 36.6 m -52.09 -51.57 56.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.23 118.41 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.514 ' SD ' HG23 ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -86.09 112.78 21.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.445 HG23 ' SD ' ' B' ' 1' ' ' MET . 5.2 pt -102.82 150.63 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.697 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -103.43 142.15 34.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.32 106.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.383 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -96.33 122.99 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.491 ' C ' ' H ' ' B' ' 9' ' ' THR . 80.9 p -85.03 157.11 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.08 2.25 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.491 ' H ' ' C ' ' B' ' 7' ' ' THR . 30.6 p -93.61 -45.73 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.5 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.67 5.63 1.93 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -97.46 137.42 36.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -111.84 146.86 36.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.76 129.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.687 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -97.25 128.77 44.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -130.77 132.35 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.15 114.31 21.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.301 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.514 HG23 ' SD ' ' B' ' 1' ' ' MET . 5.4 m -137.23 -174.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.562 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 84.9 mt-10 -142.6 147.4 42.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.251 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.76 -10.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.744 2.296 . . . . 0.0 112.216 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -106.28 15.96 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 3.3 m-20 -89.63 133.36 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.433 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.1 p -82.13 134.61 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.1 mm -41.81 -50.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -51.3 -39.5 57.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.321 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 22' ' ' THR . 13.3 t-20 -63.03 -42.77 99.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.286 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.11 -51.97 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.354 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -50.51 -42.49 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.297 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.35 89.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -56.83 -41.41 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 mt -63.2 -48.04 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.486 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -54.78 -32.69 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 38.5 t0 -74.9 -26.74 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -81.98 -64.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -84.8 -106.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.03 13.43 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.479 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 53.3 mt -83.44 127.91 66.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.552 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.38 141.58 32.04 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.632 2.221 . . . . 0.0 111.94 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.667 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.63 -50.97 9.69 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.797 2.332 . . . . 0.0 112.028 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.76 9.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.667 ' H ' ' C ' ' B' ' 38' ' ' PRO . 49.0 mt-30 -143.83 54.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -147.32 129.78 15.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.538 HH12 ' CG ' ' A' ' 552' ' ' GLU . 20.6 ttm180 -125.54 109.73 13.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.421 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -98.95 125.17 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -124.78 139.97 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.375 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 80.4 t80 -130.25 176.96 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -38.58 -28.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -86.15 -92.06 0.89 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -146.74 -144.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.376 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -91.83 135.73 33.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -83.98 129.22 34.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.604 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -93.02 159.02 15.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -67.23 162.2 23.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.03 -68.14 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.8 mmt180 -41.37 166.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.586 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -115.22 162.81 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.5 mt -55.08 -40.74 70.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -56.22 -24.12 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.543 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 6.0 m-20 -80.86 26.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 78.8 m-85 -155.41 8.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.626 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 55.59 26.83 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.708 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.95 95.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.414 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -67.47 -156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -90.87 159.15 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.769 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 56.72 28.48 14.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -80.57 132.12 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -89.48 109.4 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.27 125.37 41.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.531 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 105.0 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.3 tp -96.51 134.62 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.3 t -133.2 152.29 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.6 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.9 mp -89.04 166.83 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.505 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 35.1 ttt180 -67.31 167.33 12.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.477 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 6.8 tp -75.88 60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -88.32 -171.9 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 -115.17 4.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.939 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.407 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.67 104.0 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.9 pt -101.67 147.84 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -104.9 139.4 39.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.785 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.68 96.06 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LYS . . . . . 0.527 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 32.2 ttmt -80.03 118.94 22.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.776 HG23 ' O ' ' C' ' 11' ' ' LYS . 56.2 p -77.19 142.63 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.173 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.526 HD22 HG13 ' C' ' 70' ' ' VAL . 14.3 tp -39.25 -49.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.528 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.478 HG23 ' O ' ' C' ' 8' ' ' LEU . 31.5 p -156.75 68.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.77 -82.66 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.776 ' O ' HG23 ' C' ' 7' ' ' THR . 0.1 OUTLIER -155.88 167.1 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.657 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.568 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 24.5 m -107.59 102.44 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.37 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -76.23 164.13 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -136.95 121.55 18.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.31 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mt -130.21 141.82 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.847 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -86.86 116.6 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.2 m -130.53 178.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.708 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.619 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 12.4 mt-10 -131.19 144.45 53.55 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.371 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -11.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.83 2.353 . . . . 0.0 112.244 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.8 OUTLIER -96.97 -23.31 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.723 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.619 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -49.14 140.38 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.451 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 4.2 p -95.78 137.07 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.98 -47.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.465 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -50.36 -49.92 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.292 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' OG1' ' C' ' 22' ' ' THR . 2.9 m-20 -56.27 -44.05 79.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.271 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.84 -54.93 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.179 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 79.8 mttt -49.26 -38.19 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -61.0 -47.38 86.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.408 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.05 -32.54 71.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -70.05 -38.86 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -65.07 -35.93 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.22 -21.34 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -85.16 -60.2 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -89.26 -82.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.25 1.31 0.06 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 55.9 mt -73.84 133.65 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.497 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -74.12 142.03 30.26 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.671 2.247 . . . . 0.0 111.898 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.606 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.25 -46.43 16.7 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.773 2.315 . . . . 0.0 112.008 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.69 27.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.606 ' H ' ' C ' ' C' ' 38' ' ' PRO . 58.4 mt-30 -156.96 42.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.402 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 74.9 mt-30 -147.11 111.05 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.539 ' HE ' ' CD ' ' C' ' 49' ' ' GLN . 2.9 tpt180 -103.47 102.14 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.16 115.74 19.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 1.03 HD12 HG21 ' C' ' 70' ' ' VAL . 67.7 mt -117.59 141.35 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -144.33 118.36 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 31.39 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 4.41 85.25 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -106.8 117.32 33.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.539 ' CD ' ' HE ' ' C' ' 42' ' ' ARG . 14.8 tt0 -73.32 130.81 40.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.48 140.03 30.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -92.8 159.05 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.43 162.75 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.67 -52.99 4.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -53.29 153.05 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 14.3 p -92.85 164.47 13.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.8 -37.25 83.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.709 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.402 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 19.8 p -57.1 -23.82 49.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.658 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.53 20.02 0.59 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -148.75 10.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.508 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 55.54 25.81 8.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.5 mt -74.32 93.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.493 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -73.03 -156.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.68 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -91.09 162.6 14.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.763 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 58.19 18.22 5.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.733 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.9 m -69.24 170.18 10.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -126.97 94.96 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.593 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.29 119.99 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -79.83 100.09 7.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.15 101.46 9.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.449 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 1.03 HG21 HD12 ' C' ' 44' ' ' ILE . 1.6 t -101.72 128.67 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.69 159.44 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.806 0.336 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.9 t -45.78 -68.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -45.16 -38.26 5.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.623 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.91 -73.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 21.5 mm -53.36 -16.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.5 -79.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.456 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.54 -45.56 53.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.21 -22.93 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -62.06 -41.82 99.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 495' ' ' ILE . 93.4 mt -87.4 -13.72 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.639 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.54 76.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 499' ' ' GLY . 63.3 m-85 -44.16 -35.51 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.1 -12.07 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -79.83 93.43 1.38 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 2.0 m 64.94 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -78.28 54.67 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -77.91 -170.5 1.92 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 15.34 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -87.66 -52.56 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.288 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 497' ' ' PHE . 50.0 t -43.6 -40.01 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.336 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 508' ' ' LEU . 16.0 mt -77.23 -48.52 17.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.08 -9.6 0.12 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 506' ' ' LEU . 38.8 mt -109.72 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.775 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.41 -36.51 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.3 mt -58.58 -66.01 1.63 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.3 -63.51 0.32 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.644 2.229 . . . . 0.0 111.824 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 64.9 mt -51.91 -19.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -98.61 -26.52 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.538 ' HB1' HD12 ' B' ' 73' ' ' LEU . . . -157.61 62.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.508 ' OG ' HD11 ' A' ' 518' ' ' LEU . 2.0 p -103.98 -0.38 28.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.374 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 63.4 p 50.39 37.07 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -145.6 9.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -164.71 154.27 11.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.637 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.464 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.49 -178.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.96 2.44 . . . . 0.0 111.944 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.471 ' H ' ' CD1' ' A' ' 558' ' ' LEU . 14.0 pt -139.51 40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.67 -47.92 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 85.0 m -84.84 -19.78 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.18 -47.13 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.04 -54.65 40.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.0 mtt -54.62 -45.81 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -60.36 -47.07 87.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 m -44.96 -49.87 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.5 tp -57.91 -59.57 5.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.86 -34.39 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -65.86 -31.05 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.384 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 528' ' ' LEU . . . -73.26 -53.43 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.41 ' ND1' ' N ' ' A' ' 532' ' ' HIS . 0.3 OUTLIER -49.58 -47.15 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.663 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.9 t -64.08 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -73.7 25.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -50.84 -42.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -84.13 -56.33 2.59 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 40.8 p -69.57 -169.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 24.0 p -167.65 170.04 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -158.52 163.22 37.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -89.83 -46.44 4.23 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -31.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.719 0.295 . . . . 0.0 110.592 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 92.1 mt -70.26 -74.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.7 m -43.42 -46.89 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.486 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 20.6 p -47.82 -58.36 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 74.1 p -58.48 -59.42 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.31 -32.06 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.284 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 549' ' ' ASN . 7.1 tpt -75.68 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER -42.92 -24.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.413 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 553' ' ' ARG . 77.1 m-20 -79.95 -53.82 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -49.44 -34.23 16.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.3 mp -85.11 -77.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.04 -43.17 75.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.701 ' O ' ' N ' ' A' ' 555' ' ' ALA . 6.1 ttm180 72.42 -69.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.729 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 38.09 -56.1 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.224 1 C-N-CA 136.215 5.806 . . . . 0.0 104.506 -177.447 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -37.25 -18.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.244 0.545 . . . . 0.0 109.777 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.729 ' N ' ' O ' ' A' ' 554' ' ' THR 0.268 0.8 OUTLIER -4.36 -43.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 161.568 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.731 ' N ' ' O ' ' A' ' 555' ' ' ALA . 14.7 mm-40 5.12 -64.06 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.64 167.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' A' ' 556' ' ' ILE . 20.5 mt -104.27 163.88 12.11 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -141.48 -170.92 3.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 2.9 m 68.45 108.42 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 59.66 104.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.8 p90 -172.88 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.627 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.6 p -71.1 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -52.76 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -52.0 -48.47 64.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.5 tp -49.55 -40.96 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -59.54 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 14.8 mt -46.48 -44.45 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -55.65 -69.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -43.44 -24.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.63 -73.6 1.13 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.4 mm -64.44 -5.46 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.462 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.459 HD23 ' CE2' ' A' ' 574' ' ' TYR . 32.2 tp -43.23 -67.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 573' ' ' LEU . 67.9 m-85 -81.64 -155.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.2 tpt -165.94 142.09 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 52.38 -169.34 0.65 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 50.74 -162.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -173.42 -31.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -43.7 -47.96 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 580' ' ' GLN . 9.2 mp0 -57.67 -47.89 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.64 -53.55 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 12.7 m-20 -47.27 -38.98 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.477 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.88 -54.78 40.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 41.2 t -52.21 -62.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.9 mp -46.67 -49.3 19.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -44.53 -42.2 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 0.2 OUTLIER -62.99 -49.89 72.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 64.9 mt -46.08 -47.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -60.52 -30.86 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -57.45 -62.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 23.7 mm -78.01 81.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 55.08 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 0.1 OUTLIER -163.67 76.82 1.71 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.473 ' C ' ' N ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.18 -167.76 0.46 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.96 2.44 . . . . 0.0 111.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.481 ' O ' ' N ' ' A' ' 597' ' ' SER . 15.9 ptt? -47.39 -13.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.473 ' N ' ' C ' ' A' ' 594' ' ' PRO . 5.6 m -48.39 -11.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 595' ' ' MET . 67.7 m -48.06 -42.77 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.73 -42.88 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.47 -48.71 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -45.95 -50.43 14.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.33 -50.42 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.32 -63.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.41 -18.52 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -75.51 -71.75 1.12 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 64.8 m -43.82 -37.74 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.9 t -78.87 127.75 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.53 115.84 22.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 pt -117.97 154.57 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.75 142.24 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.632 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.48 105.63 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -88.4 127.18 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.486 ' C ' ' H ' ' B' ' 9' ' ' THR . 34.8 p -93.03 152.26 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.454 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.09 9.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.557 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.486 ' H ' ' C ' ' B' ' 7' ' ' THR . 23.8 p -98.55 -43.93 6.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.75 24.94 0.57 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -125.35 136.42 53.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -112.45 125.68 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.407 HG21 HD13 ' B' ' 13' ' ' ILE . 3.9 mt -107.55 132.1 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.582 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.7 m -101.76 113.37 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.28 166.9 10.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -121.96 102.55 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' B' ' 56' ' ' LEU . 8.5 m -127.18 -163.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.456 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.0 OUTLIER -140.46 178.12 1.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.097 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -75.19 -27.54 9.64 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.803 2.335 . . . . 0.0 112.142 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.79 18.28 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.739 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.39 136.94 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -85.86 144.78 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.51 -41.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.88 -43.62 77.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.37 -38.96 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.36 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.49 -54.56 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -50.32 -41.69 51.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.239 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.09 92.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.65 -38.13 77.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 mt -65.32 -42.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.306 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.78 -41.7 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.25 -28.62 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.364 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -75.6 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.49 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -97.59 -99.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.82 29.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.464 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 74.9 mt -101.0 101.9 17.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.655 0.264 . . . . 0.0 110.533 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.38 140.12 8.66 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -63.13 0.35 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.733 2.288 . . . . 0.0 112.056 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 15.2 t70 -37.97 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' B' ' 38' ' ' PRO . 14.1 mm100 -103.95 64.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -157.27 150.7 23.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.548 ' NH2' HD22 ' A' ' 551' ' ' LEU . 45.5 ttp180 -141.68 103.43 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.6 mt -97.37 129.71 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -135.36 145.25 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 87.3 t80 -130.78 170.28 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.557 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.87 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.49 -71.38 1.28 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -172.4 -156.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -79.39 130.03 35.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.17 127.27 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -76.64 159.01 30.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.97 64.47 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . -174.95 -57.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.7 mmt85 -47.13 176.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.0 p -115.41 167.3 10.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.559 ' CD1' HG21 ' B' ' 17' ' ' VAL . 82.4 mt -68.75 -13.17 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 17.0 p -81.01 -28.46 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.44 -37.8 83.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -86.99 14.9 6.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 49.07 37.1 9.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.4 mt -82.7 107.39 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -84.34 -156.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.763 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -86.39 159.67 19.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 55.94 37.07 28.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.703 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.9 m -100.14 136.43 40.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -88.5 137.86 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -126.21 119.83 28.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -70.91 132.61 45.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.729 ' C ' HD23 ' B' ' 69' ' ' LEU . 5.9 tt -124.06 119.63 30.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.65 ' N ' HD23 ' B' ' 69' ' ' LEU . 3.3 t -124.28 153.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.603 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 22.0 mt -120.43 148.67 43.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.5 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 71' ' ' LEU . 72.6 mtp180 -44.87 172.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.28 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.793 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.5 mm? -41.26 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.469 ' NH2' ' CA ' ' C' ' 47' ' ' GLY . 45.9 ttt-85 61.24 136.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.31 156.77 21.89 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.792 0 CA-C-O 118.056 -1.413 . . . . 0.0 110.964 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.25 112.92 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.413 HD12 HD12 ' C' ' 67' ' ' LEU . 14.3 pt -115.62 148.42 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.642 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -102.18 148.21 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' C' ' 13' ' ' ILE . 77.4 t -124.83 95.41 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.171 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -83.43 130.5 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.925 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 67.8 p -92.06 147.29 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.675 HD11 HG13 ' C' ' 70' ' ' VAL . 87.9 mt -32.11 -49.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.612 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.517 HG23 ' O ' ' C' ' 8' ' ' LEU . 23.8 p -157.52 22.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.408 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLY . . . . . 0.528 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -96.46 -106.01 2.26 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.579 ' N ' ' OG1' ' C' ' 7' ' ' THR . 27.0 mtpt -129.9 172.28 11.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 83.0 m -111.08 82.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.211 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -68.43 139.77 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.57 ' C ' HD12 ' C' ' 15' ' ' LEU . 17.2 m -112.81 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.57 HD12 ' C ' ' C' ' 14' ' ' THR . 11.1 mp -109.35 161.59 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.75 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -114.97 106.97 14.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.4 m -131.18 -162.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.781 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.43 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 2.2 mt-10 -140.27 176.45 2.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.076 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.39 -25.41 11.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.735 2.29 . . . . 0.0 112.213 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.59 -1.53 58.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.764 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.49 141.85 50.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -88.66 141.25 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.74 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 22.8 mm -45.89 -56.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.41 -42.16 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' C' ' 29' ' ' LYS . 8.5 t-20 -61.25 -46.66 89.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.122 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.0 -50.34 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.156 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -53.97 -32.95 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.19 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -65.09 -50.97 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.281 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' C' ' 25' ' ' ASN . 51.3 mttp -57.07 -38.79 73.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.342 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 mt -65.12 -38.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -62.69 -39.55 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -69.59 -23.65 63.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -81.93 -60.37 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -89.56 -93.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.67 23.48 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.577 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 34.5 mt -96.1 101.73 9.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.698 0.285 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.96 140.92 6.62 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.697 2.265 . . . . 0.0 111.825 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.19 -36.55 17.01 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.796 2.331 . . . . 0.0 111.954 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -76.28 19.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.68 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' C' ' 38' ' ' PRO . 40.9 mm-40 -143.55 -1.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 86.2 mt-30 -98.26 145.99 26.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.61 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 8.7 ttt180 -143.99 101.18 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.4 113.93 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.65 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.96 HD12 HG21 ' C' ' 70' ' ' VAL . 35.1 mt -113.03 133.83 57.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.443 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -144.89 138.4 26.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.548 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.95 22.96 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.469 ' CA ' ' NH2' ' B' ' 74' ' ' ARG . . . 84.18 -7.39 71.74 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -100.57 128.18 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.526 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 24.0 tt0 -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.04 115.94 21.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -78.04 158.37 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.96 165.24 24.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.26 -31.73 4.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.35 178.56 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 62.4 p -122.42 165.05 16.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.559 ' CD1' HG21 ' C' ' 17' ' ' VAL . 96.1 mt -66.25 -4.8 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 7.5 t -90.76 -21.3 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' C' ' 58' ' ' ASP . 1.7 m-20 -81.62 13.05 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -139.52 9.14 2.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 56.37 23.26 7.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.7 mt -69.8 91.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.397 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.6 -160.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -80.61 156.13 26.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.679 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 62.45 33.48 16.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.764 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 38.6 m -90.25 132.04 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.469 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.99 108.68 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.413 HD12 HD12 ' C' ' 3' ' ' ILE . 13.9 mt -97.39 119.7 36.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -77.29 103.69 7.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 tp -79.14 111.12 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.485 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.96 HG21 HD12 ' C' ' 44' ' ' ILE . 1.9 t -118.8 127.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.513 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.572 HD12 ' N ' ' C' ' 71' ' ' LEU . 9.7 mp -73.54 165.11 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.545 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 24.0 t -66.52 -51.82 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -57.21 -35.66 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -58.2 -59.46 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.02 -31.3 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 7.5 tp -54.83 -70.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.31 -36.26 57.19 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 7.2 tp -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.402 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.28 96.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.9 mm -77.12 -8.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -76.77 -70.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 48.9 p90 -81.27 25.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -51.04 -64.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.01 83.86 0.85 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 28.2 t -155.4 -62.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm 54.8 75.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 44.2 t30 -119.14 -176.07 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.484 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.1 p30 -88.5 -2.65 58.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -88.75 -53.31 4.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.406 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.4 t -40.67 -43.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.549 ' C ' ' H ' ' A' ' 508' ' ' LEU . 39.3 mt -77.64 -48.6 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.548 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.25 -6.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' A' ' 506' ' ' LEU . 4.2 tp -118.0 -55.87 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -39.76 95.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 513' ' ' ALA . 14.5 tp -56.85 -62.1 5.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.82 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.575 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.97 -62.49 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.383 2.055 . . . . 0.0 111.591 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 83.1 mt -44.76 -25.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -78.31 -46.01 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.48 ' CB ' HD12 ' B' ' 73' ' ' LEU . . . -148.47 54.46 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.0 OUTLIER -79.69 14.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 515' ' ' SER . 68.8 p 51.32 57.18 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.595 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 518' ' ' LEU . 55.6 t0 -166.38 -111.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.632 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.619 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -35.86 154.3 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.77 -175.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.894 2.396 . . . . 0.0 112.021 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.8 pt -119.95 24.1 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.71 -62.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.9 m -68.66 -23.31 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.09 3.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -69.72 -57.82 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.1 mtt -57.98 -46.32 85.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.47 -49.01 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.8 m -64.4 -19.68 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -70.88 -66.75 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -55.01 -30.41 59.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.3 tt -61.65 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.47 -28.93 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.22 -58.31 7.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.31 -45.32 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.94 23.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 531' ' ' ALA . 10.4 p -61.78 -36.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -64.18 -100.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.2 t -59.01 -168.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.599 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.505 ' N ' ' OG1' ' A' ' 537' ' ' THR . 84.4 m -148.39 179.43 7.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -156.65 175.73 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 544' ' ' THR . . . -93.52 -52.88 1.92 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -41.58 -59.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.09 -51.37 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 544' ' ' THR . 7.4 m -62.85 -72.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 543' ' ' THR . 45.7 p -22.44 -56.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.821 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 p -59.83 -56.92 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -51.07 -51.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.41 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.508 ' N ' HG22 ' A' ' 546' ' ' ILE . 6.3 tpt -55.45 -44.33 76.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -56.93 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 553' ' ' ARG . 80.4 m-20 -54.3 -55.64 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -41.71 -38.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.98 -73.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.62 ' CD ' HH22 ' B' ' 42' ' ' ARG . 59.5 mm-40 -47.34 -54.7 10.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.728 ' O ' ' N ' ' A' ' 555' ' ' ALA . 8.4 mmt-85 85.48 -73.63 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 1 N-CA-C 99.944 -4.095 . . . . 0.0 99.944 165.803 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.735 ' O ' ' N ' ' A' ' 556' ' ' ILE . 93.9 m 15.03 -72.3 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.204 -1.56 . . . . 0.0 109.705 168.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -24.31 -30.56 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.878 -0.729 . . . . 0.0 111.185 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -9.41 -40.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 165.5 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 555' ' ' ALA . 19.0 mm-40 6.45 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.74 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.725 ' N ' ' O ' ' A' ' 556' ' ' ILE . 1.3 tt -130.22 105.84 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.433 ' N ' HD23 ' A' ' 558' ' ' LEU . 42.4 mtmt -76.05 -115.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.563 HG22 ' H ' ' A' ' 561' ' ' ASP . 1.1 m 60.73 -143.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 560' ' ' THR . 30.6 t0 -59.76 92.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -173.52 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.47 -30.56 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 567' ' ' ALA . 67.3 ttt-85 -73.95 -71.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -45.43 -55.35 6.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 55.0 tp -46.34 -49.9 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 564' ' ' ARG . . . -46.11 -55.05 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.525 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 568' ' ' LEU . 12.6 mt -52.17 -44.51 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.19 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.39 -22.48 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -78.39 -69.89 1.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.39 -23.76 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.9 tp -45.33 -60.14 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.32 -177.91 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.599 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 39.1 mtm -114.15 -84.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -174.23 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -46.07 169.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.316 . . . . 0.0 110.595 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.737 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 77.69 32.51 45.74 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 578' ' ' GLY . 25.1 pt-20 34.21 25.03 0.0 OUTLIER 'General case' 0 C--O 1.194 -1.828 0 O-C-N 122.03 -0.688 . . . . 0.0 110.998 172.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.737 ' N ' ' O ' ' A' ' 578' ' ' GLY . 57.8 mt-30 -60.44 -62.15 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 126.033 2.083 . . . . 0.0 110.567 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.69 -39.71 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.528 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -51.0 -40.62 58.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.48 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 10.3 t70 -69.25 -69.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 59.3 t -45.85 -55.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.7 tp -47.06 -38.65 11.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.43 -46.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.549 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.6 m -55.9 -57.75 10.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 75.6 mt -43.01 -40.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 25.1 p -72.6 -31.84 65.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.66 -48.79 58.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 591' ' ' ILE . 1.7 mp -89.99 151.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.282 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -38.37 148.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 7.4 p80 -138.61 75.45 37.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.41 -71.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.908 2.405 . . . . 0.0 111.919 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -94.45 -14.78 24.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.57 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 22.2 m -76.24 -21.37 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.7 t -46.36 -25.45 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.44 -42.43 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 83.2 mt -71.96 -22.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.1 -45.94 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.61 -39.97 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 tp -60.4 -73.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -47.41 -27.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.38 -34.55 32.05 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.1 m -59.35 -49.38 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.581 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 15.9 t -86.31 118.98 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.33 109.54 21.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.629 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -102.01 151.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.699 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -105.68 149.64 26.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.642 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.82 106.87 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.92 139.8 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -119.41 143.2 47.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.442 HD12 ' N ' ' B' ' 8' ' ' LEU . 11.2 mp -57.62 -12.38 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -84.03 13.4 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.8 69.73 1.25 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -169.48 131.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.658 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -108.45 128.28 54.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.463 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.89 129.91 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -106.96 119.26 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.359 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -124.73 141.37 52.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.3 115.38 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.76 170.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.705 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.621 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 26.9 mm-40 -125.4 150.3 67.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.67 -22.34 1.13 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.888 2.392 . . . . 0.0 112.228 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -85.78 -21.54 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.8 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.621 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.9 m-20 -50.98 138.88 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.477 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.5 p -95.57 137.29 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' B' ' 22' ' ' THR . 33.9 mm -39.43 -50.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -51.76 -39.56 58.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.338 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 22' ' ' THR . 7.5 t-20 -62.87 -45.68 91.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.317 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 t -58.73 -44.19 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -57.01 -42.44 80.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.273 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.33 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.76 -42.61 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.47 -36.16 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.431 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -63.52 -41.38 98.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.1 -26.96 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -79.64 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -85.62 -90.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 160.82 14.5 0.03 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.488 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 59.7 mt -85.06 110.25 27.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.709 0.29 . . . . 0.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.488 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.68 137.26 12.16 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.697 2.265 . . . . 0.0 111.922 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.57 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.69 -41.97 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.802 2.335 . . . . 0.0 111.959 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' B' ' 39' ' ' ASP . 1.4 m-20 -69.69 26.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.57 ' H ' ' C ' ' B' ' 38' ' ' PRO . 62.3 mt-30 -155.4 53.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.547 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -148.22 146.24 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.62 HH22 ' CD ' ' A' ' 552' ' ' GLU . 14.1 mtp180 -138.66 99.72 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.5 127.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' B' ' 45' ' ' PHE . 33.7 mt -124.76 153.99 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 52.8 t80 -139.05 170.0 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.29 -27.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.07 -88.89 0.73 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -146.93 -146.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -90.87 139.11 31.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.48 131.13 35.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -96.47 159.11 15.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.14 25.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.34 -62.93 4.55 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -43.16 161.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.423 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 27.9 p -110.53 164.97 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.39 -10.88 27.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.488 ' C ' ' H ' ' B' ' 59' ' ' TYR . 79.4 p -82.28 -32.14 29.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.559 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.84 19.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' B' ' 57' ' ' SER . 72.3 m-85 -141.15 -2.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 t30 67.33 20.86 9.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.39 113.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -89.69 -157.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.71 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -88.63 159.76 17.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 52.47 31.69 10.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.587 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.9 m -92.42 140.04 29.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -82.47 144.43 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.52 112.51 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.48 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 38.1 m80 -66.86 153.21 44.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.305 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 tp -142.47 118.71 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.732 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 t -117.16 152.17 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -115.77 134.04 55.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' B' ' 74' ' ' ARG . 39.2 ttp180 -45.25 169.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.897 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.1 mm? -47.43 92.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' B' ' 72' ' ' ARG . 48.1 ttt-85 -86.8 158.09 19.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.59 -155.4 25.07 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 117.994 -1.448 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.439 ' N ' ' O ' ' C' ' 17' ' ' VAL . 20.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -75.12 112.25 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.09 145.53 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -100.66 130.96 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.8 t -113.13 97.76 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.3 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -82.71 120.65 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.662 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.48 ' O ' ' N ' ' C' ' 9' ' ' THR . 72.6 p -75.75 170.16 16.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.116 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.647 ' C ' HG23 ' C' ' 9' ' ' THR . 9.5 tp -67.76 63.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.235 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.647 HG23 ' C ' ' C' ' 8' ' ' LEU . 1.7 p 64.76 72.39 0.44 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -170.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.01 -43.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' C' ' 12' ' ' THR . 30.4 tttm 179.47 158.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 110.705 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 8.7 m -113.8 104.84 12.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.68 135.36 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.489 ' C ' HD22 ' C' ' 15' ' ' LEU . 6.7 m -104.2 101.47 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 -176.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.678 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.7 mm? -96.12 130.22 43.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -90.8 88.8 7.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.152 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.5 m -113.52 -161.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 18.2 mt-10 -148.2 152.85 40.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.275 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -46.82 13.48 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.899 2.399 . . . . 0.0 112.287 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.472 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.29 -47.26 86.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.879 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 2.0 m-20 -33.65 143.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -96.54 149.05 22.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.91 -55.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.429 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -44.42 -47.99 9.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 19.2 t-20 -56.13 -48.75 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.87 -52.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.228 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -51.5 -31.23 23.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -68.25 -46.31 70.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.41 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.25 -34.88 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.29 -42.12 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.0 -34.4 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.488 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' C' ' 32' ' ' ASP . 21.0 t0 -73.62 -33.07 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -74.07 -64.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -83.63 -100.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.51 10.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -81.27 124.55 80.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.65 0.262 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.06 140.48 31.34 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.6 2.2 . . . . 0.0 112.032 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.613 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.5 -50.56 10.2 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.018 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -57.35 3.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.613 ' H ' ' C ' ' C' ' 38' ' ' PRO . 21.8 mt-30 -139.02 43.44 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -132.91 158.31 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -152.17 97.67 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.573 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -80.62 104.25 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.839 HD12 HG21 ' C' ' 70' ' ' VAL . 23.1 mt -108.3 121.3 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 73.4 t80 -115.64 176.62 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.69 -51.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -88.67 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.464 ' HZ3' ' NH2' ' B' ' 74' ' ' ARG . 38.7 mttm -146.53 -149.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -89.42 141.34 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.48 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.4 mt -88.44 115.47 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -75.42 158.42 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.08 158.26 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.07 -59.36 3.89 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 14.5 mmt180 -48.24 166.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.704 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.1 p -106.78 165.1 11.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.613 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' C' ' 17' ' ' VAL . 81.9 mt -64.34 -19.35 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.505 ' C ' ' H ' ' C' ' 59' ' ' TYR . 92.0 p -75.39 -29.22 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 58' ' ' ASP . . . . . 0.492 ' O ' ' CD2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -73.29 28.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' C' ' 57' ' ' SER . 83.1 m-85 -156.16 5.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m120 58.35 32.69 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.675 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -81.15 91.54 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -77.32 -157.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -81.85 159.62 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 57.8 31.07 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.66 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -83.11 131.79 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.84 102.67 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.88 121.6 37.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -79.5 102.33 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.37 101.35 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.5 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.839 HG21 HD12 ' C' ' 44' ' ' ILE . 2.1 t -104.27 153.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -93.97 156.51 16.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 487' ' ' SER . 56.6 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.763 0.316 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 487' ' ' SER . . . . . 0.409 ' N ' ' OG ' ' A' ' 486' ' ' SER . 26.8 m -45.89 -33.83 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.81 43.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.72 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.3 mm -62.8 -47.37 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -47.34 -69.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.54 -59.74 7.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 5.0 tp -45.18 -37.28 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.528 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 494' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -60.19 -67.03 2.34 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 24.6 pt -63.31 1.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 0.0 110.673 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -82.91 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.608 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 39.9 p90 -81.76 20.09 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -37.53 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.692 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.08 120.51 6.23 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 45.0 p -169.8 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 501' ' ' LYS . 11.8 mptt 48.01 79.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -143.83 157.49 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.15 7.14 22.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 41.0 tt0 -95.81 -55.44 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.351 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.6 t -43.2 -39.13 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 508' ' ' LEU . 9.7 mp -85.08 -47.89 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -47.01 -8.25 0.02 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 506' ' ' LEU . 32.6 mt -123.3 -58.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.54 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.554 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 17.8 tp -63.72 -61.86 6.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.772 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.554 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.04 -53.27 6.53 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.402 2.068 . . . . 0.0 111.465 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.7 mt -47.91 -36.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.289 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.69 -33.66 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.295 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.65 ' HB1' HD12 ' B' ' 73' ' ' LEU . . . -168.33 78.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.572 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 511' ' ' PRO . 59.8 p -93.01 35.27 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.412 . . . . 0.0 110.089 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.1 OUTLIER 66.73 7.13 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.259 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' O ' ' A' ' 518' ' ' LEU . 3.5 m-20 -159.47 -152.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.456 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.532 ' O ' ' O ' ' A' ' 519' ' ' PRO . 28.2 mt 59.01 143.78 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.686 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.532 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -47.12 -167.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.857 2.371 . . . . 0.0 112.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.541 ' CG2' ' HB1' ' A' ' 555' ' ' ALA . 17.3 pt -133.09 35.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.618 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -92.79 -80.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 t -71.43 -29.59 65.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 526' ' ' ALA . . . -46.75 -51.82 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.42 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.522 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.4 mmt -50.03 -38.05 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.544 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 523' ' ' ALA . . . -59.06 -42.41 90.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.534 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.9 t -59.97 -30.91 69.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.48 -24.03 60.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.33 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.55 -33.98 70.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.533 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.32 -60.63 2.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -50.8 -44.6 58.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 535' ' ' VAL . 76.6 t -67.75 -70.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.577 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.39 25.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -46.14 -27.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -91.04 -102.39 1.26 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.61 110.44 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.63 -158.85 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -158.85 177.23 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 544' ' ' THR . . . -80.78 -49.99 5.45 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -44.05 -62.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 73.4 mt -48.19 -44.97 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 546' ' ' ILE . 92.7 m -67.34 -75.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 543' ' ' THR . 73.2 p -20.93 -56.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 543' ' ' THR . 26.9 p -60.58 -53.25 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -58.2 -54.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.173 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.55 ' N ' HG22 ' A' ' 546' ' ' ILE . 11.7 tpt -52.69 -37.16 58.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.402 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.7 OUTLIER -64.59 -51.79 60.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.4 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -48.67 -36.6 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.293 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -66.89 -58.76 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.524 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.9 mp -72.26 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.706 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 553' ' ' ARG . 27.9 tp10 -39.78 -42.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 552' ' ' GLU . 6.9 mmm-85 30.07 92.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.838 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -163.84 -27.01 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.034 0 CA-C-O 124.793 2.235 . . . . 0.0 115.652 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.613 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.25 1.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 111.652 -2.522 . . . . 0.0 109.016 171.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.838 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.8 OUTLIER -46.21 -4.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.401 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.616 ' C ' ' O ' ' A' ' 556' ' ' ILE . 4.8 mp0 -20.41 -46.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.731 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.648 ' N ' ' O ' ' A' ' 556' ' ' ILE . 68.2 mt -114.99 -148.92 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.476 ' O ' ' OG1' ' A' ' 560' ' ' THR . 84.4 mttt -157.05 -96.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.703 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 52.47 -100.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.53 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.437 ' H ' ' HG1' ' A' ' 560' ' ' THR . 4.2 p30 -171.19 143.57 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -179.15 -11.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.24 -33.78 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.52 -71.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -50.13 -37.57 34.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.76 -39.22 87.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -61.04 -56.2 23.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.0 mt -47.22 -54.27 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.36 -64.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 48.9 tp -45.1 -24.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -83.19 -77.72 1.09 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.4 tt -52.01 -13.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.2 tp -44.74 -70.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -70.11 -156.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 3.1 ptm -157.71 -0.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 82.92 133.48 2.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -162.39 -37.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.314 . . . . 0.0 110.54 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.738 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . -166.66 91.23 0.1 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.309 1.684 . . . . 0.0 117.309 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 578' ' ' GLY . 34.7 mt-10 26.89 30.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.188 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 578' ' ' GLY . 44.4 tt0 -58.76 -45.57 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.86 -38.96 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.8 OUTLIER -53.38 -49.37 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.571 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.584 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 37.8 t70 -63.27 -67.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 84.4 t -41.86 -53.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 37.0 tp -51.27 -35.84 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 583' ' ' ASP . 7.2 tt0 -59.63 -35.86 75.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.464 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.9 m -71.37 -51.61 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -46.83 -27.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 m -92.38 -19.01 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.33 -18.91 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 592' ' ' GLU . 3.8 tp -97.94 152.32 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 591' ' ' ILE . 7.6 mm-40 -60.23 -140.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.531 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 10.4 m170 50.03 48.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.36 -15.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.012 2.474 . . . . 0.0 111.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 593' ' ' HIS . 11.4 mmt -59.05 -9.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 11.4 t -79.08 -3.77 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 67.5 m -45.66 -46.32 14.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.83 -40.87 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 15.6 mt -78.58 -28.54 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.22 -39.48 92.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.46 -37.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -60.91 -66.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.09 -37.44 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.61 -31.27 77.21 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 26.6 t -78.48 -58.14 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 39.3 t -79.91 119.5 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -92.8 111.3 22.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -104.12 151.42 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.22 143.13 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 92.1 t -123.21 102.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -85.54 139.61 31.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.525 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.9 p -113.9 155.01 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 8' ' ' LEU . 22.9 mt -65.9 7.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.525 ' H ' ' C ' ' B' ' 7' ' ' THR . 70.0 p -101.93 -5.51 24.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 4.33 68.66 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -97.97 134.16 41.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -114.4 132.55 56.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.487 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 13' ' ' ILE . 4.2 mt -117.76 131.36 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -106.53 123.86 48.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.431 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -130.36 146.16 51.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.87 0.367 . . . . 0.0 110.79 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.87 125.06 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.44 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -147.05 167.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.771 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.652 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.3 mt-10 -125.11 148.67 61.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.355 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.62 -19.46 0.46 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.816 2.344 . . . . 0.0 112.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.3 9.19 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.75 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.652 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.7 m-20 -91.18 142.97 27.17 Favored 'General case' 0 N--CA 1.505 2.282 1 N-CA-C 97.492 -5.003 . . . . 0.0 97.492 -163.182 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 33.3 p -92.42 142.19 27.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 33.7 mm -45.27 -46.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -53.4 -40.27 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -61.98 -46.72 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.179 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.45 -51.0 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.256 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -52.09 -36.16 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.207 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.06 91.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -61.15 -35.8 78.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.372 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -70.67 -34.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.487 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -67.31 -32.8 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -78.76 -23.21 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -83.97 -58.31 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -89.06 -86.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 5.52 0.05 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.458 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 58.3 mt -78.59 132.26 65.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.301 . . . . 0.0 110.483 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.37 139.69 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.688 2.259 . . . . 0.0 111.864 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.57 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.56 -47.93 14.69 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.774 2.316 . . . . 0.0 112.058 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 3.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.57 ' H ' ' C ' ' B' ' 38' ' ' PRO . 16.6 mm100 -139.69 62.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -155.84 137.78 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 ttp-105 -127.0 105.55 8.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.399 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.44 127.46 43.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -128.15 146.33 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.426 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 71.1 t80 -132.24 177.35 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.36 -37.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.23 -90.72 0.16 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -147.66 -144.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -89.65 133.86 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.56 135.21 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -99.38 159.23 15.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.97 147.44 51.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 98.62 -65.63 0.73 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.2 mmm180 -41.05 166.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.761 0.315 . . . . 0.0 110.684 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.2 p -110.04 171.13 7.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.05 -23.21 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -76.14 -20.3 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -80.61 9.19 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -138.13 15.24 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m120 55.02 25.9 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.702 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -76.56 97.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.47 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -78.74 -157.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -84.81 157.47 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.09 31.49 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -88.34 132.83 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.08 127.3 35.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.97 120.78 40.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.584 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 46.5 m80 -72.93 139.09 46.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.484 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.728 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.4 tt -121.74 127.33 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.457 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.728 ' N ' HD23 ' B' ' 69' ' ' LEU . 18.9 t -130.41 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.516 ' CD1' HD21 ' B' ' 69' ' ' LEU . 3.5 mp -124.84 153.6 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 71' ' ' LEU . 36.3 mtp180 -47.16 177.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.503 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.702 HD22 ' N ' ' B' ' 73' ' ' LEU . 3.6 mm? -50.38 103.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.484 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.508 ' CZ ' HG21 ' A' ' 544' ' ' THR . 68.6 mtt180 -70.25 114.06 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.65 39.45 3.12 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.059 -1.412 . . . . 0.0 110.934 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.475 ' N ' ' O ' ' C' ' 17' ' ' VAL . 23.5 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -95.02 113.17 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -114.52 144.91 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -96.5 146.71 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' C' ' 13' ' ' ILE . 79.2 t -128.58 94.41 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 83.1 mttt -81.92 120.84 25.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.53 ' OG1' ' CA ' ' C' ' 10' ' ' GLY . 64.4 p -77.55 148.47 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.551 ' O ' HG23 ' C' ' 9' ' ' THR . 1.1 mt -32.73 -49.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.447 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.551 HG23 ' O ' ' C' ' 8' ' ' LEU . 24.2 p -158.59 34.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.386 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLY . . . . . 0.53 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -112.26 -109.19 3.0 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.498 ' N ' ' OG1' ' C' ' 7' ' ' THR . 23.3 mtpt -123.56 171.6 9.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 0.0 110.914 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.424 HG23 ' CG ' ' C' ' 6' ' ' LYS . 19.7 m -108.87 86.52 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -72.62 141.77 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.513 ' C ' HD22 ' C' ' 15' ' ' LEU . 28.2 m -114.9 109.26 17.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.699 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.6 mm? -97.96 133.48 42.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -91.44 88.51 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.219 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.602 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.1 m -111.88 -162.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.04 177.6 2.0 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.993 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.14 -25.54 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.775 2.317 . . . . 0.0 112.328 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -0.89 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.21 141.82 45.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.675 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -90.33 147.23 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.7 mm -49.58 -46.34 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -51.89 -46.84 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.38 -38.98 81.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.96 -52.17 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -51.73 -41.47 61.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.358 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.339 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -55.63 -36.91 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.78 -45.61 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.331 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -55.93 -40.51 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.47 78.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.373 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -71.16 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -84.86 -88.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.414 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 167.26 5.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.414 ' H ' ' H ' ' C' ' 35' ' ' GLY . 61.3 mt -80.38 130.63 64.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.0 110.515 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.56 143.26 34.02 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.619 2.213 . . . . 0.0 111.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.21 -63.83 0.3 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.856 2.37 . . . . 0.0 112.005 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -40.75 -21.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.653 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' C' ' 38' ' ' PRO . 29.3 mt-30 -113.8 56.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -151.32 134.72 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -128.75 100.63 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.451 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -81.79 110.8 17.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.598 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.758 HD12 HG21 ' C' ' 70' ' ' VAL . 16.4 mt -109.88 133.97 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -138.69 133.08 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.13 34.71 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.45 49.23 39.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -157.92 120.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.34 129.15 37.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.56 125.93 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -69.14 158.22 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.08 103.66 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.522 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.1 -56.53 0.47 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.422 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 32.7 mmt-85 -49.46 175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.532 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.454 ' C ' ' H ' ' C' ' 57' ' ' SER . 31.0 p -115.87 161.59 18.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.602 ' CD1' HG21 ' C' ' 17' ' ' VAL . 68.8 mt -65.84 3.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.454 ' H ' ' C ' ' C' ' 55' ' ' THR . 6.5 t -96.38 -26.42 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.83 -39.77 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.02 10.34 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 54.73 29.22 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.44 98.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -82.58 -165.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -74.25 158.97 33.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 59.68 30.29 19.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.739 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -84.84 129.93 34.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.6 m -88.1 115.12 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.712 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.05 118.17 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -79.56 102.92 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.556 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.27 102.19 11.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.758 HG21 HD12 ' C' ' 44' ' ' ILE . 3.0 t -102.19 140.51 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.629 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.13 161.25 17.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 22.8 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.693 0.282 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 30.4 t -54.53 -51.81 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -69.13 -19.5 64.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 489' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -68.48 -60.95 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.35 -35.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.549 ' C ' HD23 ' A' ' 491' ' ' LEU . 2.7 tt -54.27 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.13 -63.02 4.92 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.54 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 4.3 tp -43.67 -43.33 5.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.629 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.49 -49.34 65.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.5 pt -86.8 7.79 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.76 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -86.28 -56.87 3.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.54 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 43.2 p90 -87.92 21.55 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.32 -62.59 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -97.77 66.92 0.8 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 97.0 p -172.33 98.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.541 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -85.61 57.45 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 504' ' ' GLU . 21.8 m120 -72.91 124.29 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.18 -3.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 502' ' ' ASN . 47.8 mt-10 -88.87 -56.76 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 41.6 t -41.86 -34.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.374 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' A' ' 508' ' ' LEU . 9.0 tp -81.45 -51.23 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.478 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -57.06 2.29 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.573 ' H ' ' C ' ' A' ' 506' ' ' LEU . 69.1 mt -121.23 -52.02 2.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.08 -42.06 89.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.5 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 11.5 tp -56.99 -62.37 5.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.774 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.59 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -45.79 -50.37 9.68 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.534 2.156 . . . . 0.0 111.753 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.414 HG12 HD21 ' C' ' 8' ' ' LEU . 77.5 mt -57.51 -23.1 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -79.69 -33.61 40.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -155.69 56.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.2 OUTLIER -68.47 -10.2 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 515' ' ' SER . 0.2 OUTLIER 80.45 54.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.742 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.464 ' OD1' ' OG ' ' A' ' 515' ' ' SER . 0.4 OUTLIER 173.85 -82.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 518' ' ' LEU . 1.2 pt? -41.78 165.86 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.628 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.98 145.28 28.04 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.869 2.379 . . . . 0.0 111.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 555' ' ' ALA . 17.2 pt -91.01 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.597 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -74.4 -38.16 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -17.93 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.41 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.32 76.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' MET . . . . . 0.534 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.5 mpt? -68.45 -47.72 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.04 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 61.8 p -48.68 -34.03 11.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -67.65 -66.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.504 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.97 -51.57 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.54 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.3 tt -44.59 -51.34 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.21 -34.37 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -51.94 -40.94 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 95.0 t -77.62 -48.7 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.549 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 537' ' ' THR . 30.9 m-85 -78.79 16.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 536' ' ' GLY . 11.4 p -49.09 -40.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.498 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -71.47 -81.77 0.29 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 10.1 t -72.15 -168.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.425 ' N ' ' OG1' ' A' ' 537' ' ' THR . 22.9 p -160.21 -178.59 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -154.62 173.24 16.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 544' ' ' THR . . . -89.81 -52.49 2.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.67 -33.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 543' ' ' THR . 79.8 mt -72.94 -81.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 542' ' ' ILE . 18.2 m -38.75 -44.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 540' ' ' GLY . 40.6 p -52.15 -58.03 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.6 p -59.45 -54.8 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.243 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -35.07 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.144 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.3 tpt -77.89 -37.82 47.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.297 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' B' ' 72' ' ' ARG . 62.0 m-20 -50.7 -28.61 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.194 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.63 ' O ' ' N ' ' A' ' 553' ' ' ARG . 17.1 m-20 -87.35 -58.12 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.471 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -43.58 -19.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 549' ' ' ASN . 27.7 mt -98.76 -81.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.481 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 554' ' ' THR . 5.2 mt-10 -64.05 -7.47 8.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.72 ' O ' ' C ' ' A' ' 554' ' ' THR . 17.6 mmt180 53.95 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.734 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.4 OUTLIER 35.54 -121.11 0.13 Allowed 'General case' 0 CA--C 1.555 1.143 1 N-CA-C 98.313 -4.699 . . . . 0.0 98.313 -179.547 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.716 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 5.5 63.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.651 -167.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.734 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -115.13 11.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.609 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -71.63 18.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 556' ' ' ILE . 1.1 pt? -69.92 -176.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -147.77 1.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 1.8 t -161.58 178.78 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.441 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.1 m-20 -51.13 159.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -174.78 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -52.37 -22.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -61.86 -71.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -56.52 -45.41 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 23.7 tp -46.64 -43.07 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.451 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.61 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 38.8 tp -45.78 -38.76 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -64.71 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.41 -17.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -86.23 -77.82 1.22 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.419 ' HA ' HD12 ' A' ' 572' ' ' ILE . 10.2 tp -50.91 -23.24 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.54 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -40.13 -61.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.674 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -83.88 117.42 23.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -46.6 164.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -51.57 144.12 16.31 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 576' ' ' GLY . 44.1 tt0 59.76 127.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.572 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 155.39 104.17 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.21 -10.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.485 ' H ' ' C ' ' A' ' 578' ' ' GLY . 3.5 tp-100 -47.43 -35.37 8.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.05 -40.88 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.07 -31.62 69.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.546 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 40.9 t0 -72.45 -73.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.619 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 34.4 t -43.11 -46.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.65 -38.31 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -57.96 -48.37 80.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 5.0 m -52.85 -56.44 15.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -44.87 -35.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 58.2 p -85.66 -19.37 31.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.542 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.06 -36.11 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.4 tt -89.31 163.65 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -61.83 -137.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 50.3 m80 49.71 73.63 0.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 -24.12 12.21 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.002 2.468 . . . . 0.0 111.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.422 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.8 tpt -49.33 -38.62 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 43.6 p -60.78 -4.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.3 t -44.44 -30.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.53 90.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 17.8 mt -77.05 -36.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.554 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.12 -37.1 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -78.89 -47.28 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.92 -54.53 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.0 -57.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.98 -26.89 2.23 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -78.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.557 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 23.9 p -82.93 126.99 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.523 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -125.53 109.22 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.436 HD12 HD22 ' B' ' 67' ' ' LEU . 19.3 pt -104.46 159.16 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.746 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -116.1 159.02 22.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.491 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.4 t -136.21 109.59 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -90.85 127.85 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -105.13 146.14 29.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.58 -6.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -90.37 24.36 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.67 76.02 0.22 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -173.76 156.45 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -135.46 131.49 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.493 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -114.06 127.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.7 m -101.84 118.76 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -126.55 148.05 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.723 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' B' ' 16' ' ' GLU . 23.9 mp0 -92.28 124.35 36.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.9 m -147.5 169.68 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.641 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 20.8 mt-10 -124.92 152.54 70.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.252 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.47 ' O ' ' OG ' ' B' ' 57' ' ' SER . 2.9 Cg_endo -44.99 -31.36 5.38 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.079 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -28.57 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.641 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.4 m-20 -45.22 135.62 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.73 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 7.4 p -92.62 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.503 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -42.83 -46.32 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -53.93 -42.17 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 12.0 t-20 -61.13 -47.15 87.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.26 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.36 -53.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.265 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' B' ' 41' ' ' GLN . 50.2 mttm -50.58 -35.48 30.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.24 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -63.98 -45.7 87.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.222 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -34.23 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.61 -35.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.465 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -71.46 -31.16 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -76.57 -64.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.5 -88.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.04 4.69 0.04 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 47.3 mt -80.07 134.49 56.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 0.0 110.513 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.96 144.24 34.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.647 2.231 . . . . 0.0 111.983 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.62 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.47 -50.96 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.865 2.377 . . . . 0.0 112.041 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 22.0 m-20 -65.63 28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.62 ' H ' ' C ' ' B' ' 38' ' ' PRO . 51.2 mt-30 -158.01 49.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.508 ' O ' ' NZ ' ' B' ' 27' ' ' LYS . 72.8 mt-30 -147.14 137.18 23.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -122.85 104.65 9.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.459 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 mt -100.34 131.64 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.549 HG22 ' N ' ' B' ' 45' ' ' PHE . 82.6 mt -132.68 161.7 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.462 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 63.4 t80 -154.14 175.25 13.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.624 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.81 -38.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.92 -90.95 0.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -149.28 -142.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -94.3 138.72 31.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.414 ' N ' HD23 ' B' ' 50' ' ' LEU . 7.8 mt -87.09 109.31 19.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.621 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.84 158.7 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.527 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.62 146.62 54.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 97.27 -67.51 0.84 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' B' ' 53' ' ' GLY . 18.6 mmt180 -41.34 165.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.635 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 29.8 p -109.95 164.51 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 56' ' ' LEU . 92.0 mt -60.27 -28.08 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.7 m -69.78 -39.42 76.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.6 -39.3 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -90.61 11.67 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 m120 55.5 28.11 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.5 mt -72.74 114.14 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -86.17 -161.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -87.62 160.54 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.718 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 55.93 30.56 16.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -82.77 129.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -88.07 92.02 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.685 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.436 HD22 HD12 ' B' ' 3' ' ' ILE . 7.7 mp -73.51 170.56 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.438 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.546 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 61.7 m80 -129.01 110.25 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.301 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -93.07 146.77 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.775 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.8 t -148.57 144.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.78 144.73 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.436 ' C ' ' OD2' ' A' ' 548' ' ' ASP . 24.6 ptt85 -61.14 -169.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.904 HD22 ' H ' ' B' ' 73' ' ' LEU . 2.2 mm? -63.15 153.58 33.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -150.05 -131.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.2 82.59 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.936 -1.48 . . . . 0.0 110.958 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ttp . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.5 111.87 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.39 148.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -101.92 150.72 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' C' ' 13' ' ' ILE . 85.3 t -131.23 91.47 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LYS . . . . . 0.407 ' CG ' HG23 ' C' ' 12' ' ' THR . 73.6 mttt -76.51 115.86 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.729 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.806 HG23 ' O ' ' C' ' 11' ' ' LYS . 69.6 p -72.86 142.11 47.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.181 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.631 ' O ' HG23 ' C' ' 9' ' ' THR . 16.4 tp -37.02 -48.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.472 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.631 HG23 ' O ' ' C' ' 8' ' ' LEU . 19.4 p -160.69 71.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.387 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.4 -81.21 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.806 ' O ' HG23 ' C' ' 7' ' ' THR . 18.6 tttp -153.59 165.08 37.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.701 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.74 ' N ' ' HG2' ' C' ' 11' ' ' LYS . 14.0 m -104.24 96.36 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' C' ' 5' ' ' VAL . 1.4 mt -78.26 148.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -123.71 128.22 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.278 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -128.9 139.24 52.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.891 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.65 96.92 10.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.307 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' C' ' 56' ' ' LEU . 11.0 m -113.09 -166.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -131.97 173.83 5.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.74 -20.61 15.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.795 2.33 . . . . 0.0 112.343 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -93.61 -11.81 30.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.786 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.64 137.44 56.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.432 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 2.7 p -86.86 156.06 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -57.03 -51.25 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -52.25 -38.75 59.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.432 ' OD1' ' OG1' ' C' ' 22' ' ' THR . 3.9 m-20 -63.46 -41.94 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.19 -48.12 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.154 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -53.21 -42.57 66.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.123 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.86 95.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.239 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -58.04 -37.17 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 mt -67.69 -42.67 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.408 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.55 -33.85 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.3 -30.53 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -74.64 -60.53 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -90.8 -106.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.53 11.58 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 67.2 mt -83.27 128.69 63.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.635 0.255 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.2 143.35 35.46 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.59 2.193 . . . . 0.0 111.869 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.603 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -47.17 15.38 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.815 2.343 . . . . 0.0 112.009 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.89 28.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.674 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' C' ' 38' ' ' PRO . 62.1 mt-30 -156.46 44.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.512 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -145.32 158.03 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -149.37 99.8 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.56 107.01 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.603 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.966 HD12 HG21 ' C' ' 70' ' ' VAL . 48.4 mt -107.49 141.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.417 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -152.05 128.0 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.66 28.37 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.38 24.47 63.2 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -130.32 117.42 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 110.579 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -80.6 135.1 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.98 130.65 35.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -84.72 157.73 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.04 100.45 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 150.11 -64.92 0.39 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.6 mmt-85 -43.62 170.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 57' ' ' SER . 53.5 p -115.58 162.71 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' C' ' 17' ' ' VAL . 75.8 mt -64.27 3.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.97 -38.2 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -62.04 -39.02 90.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -82.3 6.01 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 54.9 36.06 25.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 59.7 mt -80.87 99.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -77.17 -157.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.774 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -87.31 162.18 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 55.39 33.26 20.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.663 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -84.94 167.89 15.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.418 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -123.05 106.87 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.616 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.55 118.63 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.523 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -78.4 97.67 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.73 108.97 13.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.966 HG21 HD12 ' C' ' 44' ' ' ILE . 2.0 t -111.77 141.95 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.591 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -89.41 161.76 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.855 0.36 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.5 p -57.56 -50.21 73.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.89 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -53.85 -68.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.1 mm -54.22 -30.9 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.485 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.7 tt -60.37 -62.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.501 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.47 -59.64 6.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.5 mp -58.68 -27.43 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.66 -61.3 7.64 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.77 -22.5 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.614 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.38 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 34.9 m-85 -47.62 -42.85 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.505 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 12.46 36.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.5 t -145.97 -70.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.8 tttp 48.6 67.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.668 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -131.54 170.54 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.42 -4.65 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.54 -39.44 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.111 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 26.7 t -49.28 -63.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.24 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.538 ' CD2' HD21 ' A' ' 530' ' ' LEU . 14.1 mt -61.01 -41.65 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.457 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -38.75 -35.78 0.39 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 507' ' ' GLY . 10.4 mp -109.7 -40.6 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.828 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 509' ' ' LEU . 2.0 tt -62.21 -51.53 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.584 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.2 tp -44.33 -65.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.891 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.584 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.23 -61.15 0.65 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.321 2.014 . . . . 0.0 111.728 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.767 HD11 ' OG1' ' C' ' 9' ' ' THR . 88.7 mt -42.23 -20.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -92.65 -39.61 11.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -166.35 70.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.739 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.499 ' C ' ' OG1' ' A' ' 516' ' ' THR . 2.3 m -65.17 -41.53 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.349 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.499 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.0 OUTLIER 175.24 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.481 ' CG ' ' NH1' ' C' ' 72' ' ' ARG . 18.6 t0 -165.53 72.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.1 mt -128.28 152.32 77.79 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.99 161.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.812 2.342 . . . . 0.0 111.974 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 558' ' ' LEU . 3.0 mt -101.97 -4.88 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.55 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -39.13 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.57 -53.62 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -42.77 -67.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.0 mmt -44.31 -49.28 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.98 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.6 p -47.49 -22.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -73.54 -68.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.01 -26.69 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 530' ' ' LEU . 3.3 tt -65.97 -59.35 3.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.8 -45.91 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.35 -54.85 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.2 t -65.96 -60.75 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.522 ' CE2' HD11 ' A' ' 506' ' ' LEU . 59.5 m-85 -75.9 27.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.475 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -62.9 -32.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.628 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.08 -70.97 1.28 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 537' ' ' THR . 0.0 OUTLIER -89.2 117.61 28.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.589 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.437 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 20.1 p -88.06 -170.85 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 82.6 m-20 -158.32 -179.66 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 544' ' ' THR . . . -93.49 -57.12 1.38 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.47 -26.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.587 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.427 ' C ' ' N ' ' A' ' 544' ' ' THR . 54.0 mt -80.8 -71.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.7 m -47.72 -17.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 540' ' ' GLY . 39.2 p -84.94 -49.58 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 77.3 p -66.25 -45.51 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.207 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 547' ' ' MET . 1.5 mt -59.66 -53.58 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.464 ' N ' HG22 ' A' ' 546' ' ' ILE . 89.4 mmm -59.48 -37.79 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.276 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.9 OUTLIER -64.79 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.264 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -66.65 -45.27 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.257 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.65 -59.39 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.497 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 551' ' ' LEU . 9.5 mp -62.75 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.608 ' HG3' ' OG1' ' A' ' 554' ' ' THR . 9.5 tp10 -42.07 -65.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.402 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 556' ' ' ILE . 4.1 tpp180 80.41 -40.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.046 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.747 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.3 m -21.07 -40.78 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.652 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -46.39 -5.21 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.747 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.4 OUTLIER -32.88 -24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.138 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.657 ' C ' ' O ' ' A' ' 556' ' ' ILE . 57.4 mm-40 -9.39 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.699 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 556' ' ' ILE . 86.8 mt -121.91 170.69 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.323 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -158.19 18.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.766 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 21.5 p -89.25 99.18 12.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 55.64 101.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.437 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 15.1 p-90 -162.09 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.2 p -46.08 -19.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 562' ' ' TRP . 70.8 mtp85 -72.54 -75.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -53.07 -31.54 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.54 -70.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.77 9.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.68 -56.19 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -46.64 -62.15 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 55.2 tp -44.09 -24.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.548 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.17 -67.97 1.54 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 18.9 pt -63.06 -9.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.4 tp -48.74 -26.53 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -138.0 96.15 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 64.7 mtp -88.85 41.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . 168.09 177.94 39.63 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 577' ' ' GLN . 2.0 mp0 48.51 99.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -80.78 -19.97 66.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -54.57 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.528 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -45.78 -53.98 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.84 -48.9 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -44.52 -40.09 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.474 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.47 -54.89 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 23.0 t -45.21 -58.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.8 mt -48.01 -35.3 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -57.35 -37.06 72.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.3 m -73.97 -43.58 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.358 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' ILE . . . . . 0.415 HG13 ' H ' ' A' ' 588' ' ' ILE . 10.8 mt -59.23 -36.36 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 47.4 m -69.46 -43.27 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.36 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 592' ' ' GLU . 19.6 tt -79.53 159.23 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 591' ' ' ILE . 37.2 mt-10 -46.28 174.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.443 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.6 m80 -135.67 53.58 8.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.72 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.74 -82.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.913 2.409 . . . . 0.0 111.868 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 597' ' ' SER . 32.5 ttm -106.23 -35.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 t -44.24 -24.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 595' ' ' MET . 36.7 t -41.2 -39.23 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.33 -64.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 74.2 mt -41.96 -48.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.555 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -46.85 -50.25 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.29 -51.45 48.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 602' ' ' LEU . 3.9 mm? -55.71 -69.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.9 t -47.12 -33.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.48 -44.9 96.33 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 5.2 t -61.05 -37.05 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.41 -169.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -84.06 116.13 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -113.26 147.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.481 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.03 136.39 44.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.02 107.77 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.162 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -90.71 129.42 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.485 ' C ' ' H ' ' B' ' 9' ' ' THR . 4.7 p -109.71 146.08 35.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 8' ' ' LEU . 72.3 mt -48.8 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.485 ' H ' ' C ' ' B' ' 7' ' ' THR . 4.5 p -81.33 3.08 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -3.23 59.17 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.04 139.33 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -112.57 158.93 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -139.49 136.64 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.756 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -101.31 130.77 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.98 130.22 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.796 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -89.02 99.11 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.501 HG21 ' CD1' ' B' ' 56' ' ' LEU . 18.1 m -126.52 -166.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.756 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.496 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 2.0 mm-40 -136.98 178.51 1.69 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.169 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.83 -27.19 10.58 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.744 2.296 . . . . 0.0 112.188 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.05 0.46 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.4 m-20 -72.93 137.62 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.533 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -87.49 141.49 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mm -46.18 -51.63 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -49.06 -41.85 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.299 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.71 -42.4 97.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.239 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.42 -51.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.249 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -49.72 -40.62 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.222 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -58.93 -36.94 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.95 -46.83 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.318 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -54.5 -33.22 59.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 32' ' ' ASP . 51.6 t0 -75.49 -33.26 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -71.73 -60.23 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -92.62 -87.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 167.48 3.75 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.446 ' H ' ' H ' ' B' ' 35' ' ' GLY . 63.6 mt -73.02 129.3 86.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.633 0.254 . . . . 0.0 110.522 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.92 141.75 30.53 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.655 2.237 . . . . 0.0 111.956 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.01 -65.41 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.852 2.368 . . . . 0.0 112.068 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.5 m-20 -37.87 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' B' ' 38' ' ' PRO . 25.0 mt-30 -105.61 60.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -153.45 134.27 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.696 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.505 HH21 HG11 ' B' ' 70' ' ' VAL . 6.9 mtm180 -128.78 103.76 7.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.24 123.47 37.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.3 mt -121.21 145.27 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.615 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 79.2 t80 -154.77 177.71 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.615 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -46.54 -14.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -104.29 26.76 21.86 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 45' ' ' PHE . 39.2 tttt 69.22 -150.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.307 . . . . 0.0 110.623 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -76.15 128.14 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.49 126.72 33.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -90.0 158.43 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.67 163.13 28.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.22 -56.92 4.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 15.4 mmt180 -45.92 173.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -121.91 160.36 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.501 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.1 mt -61.85 -10.08 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.4 p -86.67 -35.68 19.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -59.12 -41.58 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.41 4.68 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 60.95 23.76 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -67.91 99.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -78.9 -157.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -83.92 161.16 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 55.75 34.11 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.3 m -88.45 131.82 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -93.89 105.33 17.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.512 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -91.61 127.31 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -83.19 97.93 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.607 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -85.3 150.33 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.696 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.505 HG11 HH21 ' B' ' 42' ' ' ARG . 42.1 t -144.1 153.87 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.437 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.1 mp -105.25 167.74 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.645 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' B' ' 73' ' ' LEU . 28.6 ttp180 -63.22 168.26 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.436 HD12 ' C ' ' B' ' 73' ' ' LEU . 1.3 tp -71.17 46.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' B' ' 72' ' ' ARG . 25.2 ptt180 -68.93 -173.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.93 80.07 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.011 -1.439 . . . . 0.0 110.934 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -86.36 108.95 18.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 10.5 pt -113.08 150.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.08 142.68 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' C' ' 13' ' ' ILE . 93.8 t -125.27 94.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.287 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -76.87 120.6 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.763 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.606 HG23 ' O ' ' C' ' 11' ' ' LYS . 67.1 p -67.81 144.68 55.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' C' ' 7' ' ' THR . 0.8 OUTLIER -28.56 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.595 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.767 ' OG1' HD11 ' A' ' 512' ' ' ILE . 0.2 OUTLIER -172.96 64.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.405 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.27 -101.41 0.22 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.606 ' CG ' ' N ' ' C' ' 12' ' ' THR . 15.0 tttt -118.1 166.38 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.606 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.3 m -110.94 108.38 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.45 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' C' ' 5' ' ' VAL . 5.5 mt -86.98 141.52 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -114.22 124.23 51.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.329 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -120.0 134.41 55.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -88.12 73.67 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.4 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' C' ' 56' ' ' LEU . 6.5 m -91.05 -168.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.576 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.6 mt-10 -143.62 146.9 37.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.19 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.55 -28.04 3.96 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.853 2.369 . . . . 0.0 112.39 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.3 22.06 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.887 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.576 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 11.3 m-20 -95.88 134.84 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.553 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -81.83 137.64 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 33.2 mm -45.12 -51.23 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.319 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -48.82 -42.58 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.82 -42.45 97.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.88 -46.13 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.141 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -55.32 -39.82 70.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.253 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.96 85.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.261 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -56.07 -43.89 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.283 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.93 -32.71 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.399 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.57 -31.72 72.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.436 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -79.27 -21.34 46.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -85.76 -58.33 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -93.86 -93.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 24.75 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 45.1 mt -93.3 103.91 10.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.632 0.253 . . . . 0.0 110.493 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -44.7 137.58 8.72 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.664 2.243 . . . . 0.0 111.919 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.0 -41.98 20.76 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.881 2.387 . . . . 0.0 112.08 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.79 26.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.712 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.4 mt-30 -152.28 50.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -149.38 148.25 29.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -142.21 96.96 3.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.431 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.99 108.88 10.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.716 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.919 HD12 HG21 ' C' ' 70' ' ' VAL . 52.4 mt -103.03 124.05 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.383 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 57.2 t80 -127.01 -106.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -61.47 72.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.25 29.46 0.65 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -155.4 156.27 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.585 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -91.28 141.87 28.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.6 115.97 21.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.552 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -68.92 157.7 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -73.03 160.96 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.18 -66.66 3.48 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt85 -42.49 168.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.1 p -112.3 167.76 10.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.54 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.455 ' CD1' HG21 ' C' ' 17' ' ' VAL . 62.8 mt -64.17 -25.7 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.487 ' C ' ' H ' ' C' ' 59' ' ' TYR . 67.4 p -67.32 -29.69 69.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.577 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -73.97 21.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' C' ' 57' ' ' SER . 88.4 m-85 -148.79 9.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 55.81 28.84 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -75.92 96.14 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.36 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.32 -157.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -87.06 160.25 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 57.35 34.01 24.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 29.0 m -86.45 169.53 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.424 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -124.85 119.81 29.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mt -111.33 118.34 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -79.98 95.26 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.25 112.99 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.919 HG21 HD12 ' C' ' 44' ' ' ILE . 6.5 t -110.81 127.27 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' C' ' 72' ' ' ARG . 23.5 mt -67.21 164.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' A' ' 517' ' ' ASP . 47.9 ttt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.7 t -69.79 -42.75 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.62 -15.29 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 6.7 tp -64.82 -31.86 55.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.79 -73.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.27 -38.58 6.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 38.8 tp -64.14 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -47.69 85.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 12.7 tt -82.43 -5.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.45 -81.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER -78.43 31.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.638 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.423 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.62 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 497' ' ' PHE . . . -110.13 128.38 8.83 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.4 t -164.88 -72.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.4 tttp 61.12 64.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -130.36 162.08 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.35 -3.59 57.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -88.27 -47.13 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 509' ' ' LEU . 53.7 t -40.81 -55.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 508' ' ' LEU . 6.6 mp -72.95 -41.28 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -38.2 -24.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 506' ' ' LEU . 7.7 tp -129.12 -42.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.345 . . . . 0.0 110.752 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 505' ' ' VAL . 31.1 tp -61.3 -32.02 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.557 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.4 tp -61.95 -63.02 4.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.673 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.557 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.57 -46.69 17.09 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.349 2.033 . . . . 0.0 111.442 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' C' ' 9' ' ' THR . 89.8 mt -52.1 -34.92 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.249 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -77.33 -36.24 54.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -163.98 83.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.688 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 516' ' ' THR . 74.2 p -90.22 16.57 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 515' ' ' SER . 1.0 OUTLIER 88.29 -0.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.744 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -174.99 70.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.465 ' CD1' ' OG ' ' A' ' 515' ' ' SER . 27.8 mt -144.75 150.3 46.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.444 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.25 170.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.836 2.358 . . . . 0.0 111.959 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 558' ' ' LEU . 16.6 mt -106.55 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.433 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -50.52 -95.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.4 m -40.7 -49.6 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.44 -53.07 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.17 -49.4 52.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.1 mtt -61.09 -55.57 30.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.78 -34.66 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.0 p -58.06 -46.71 84.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.6 tp -57.71 -55.76 30.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.493 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.71 -36.64 7.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.6 OUTLIER -64.67 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.415 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.41 -38.07 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.522 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -57.83 -48.34 80.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.09 -59.35 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -84.69 22.94 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.2 p -49.63 -32.05 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -81.97 -85.55 0.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 60.5 p -65.05 -170.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 95.6 m -151.02 -175.23 5.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 21.0 t-20 -160.49 -179.97 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -99.39 -51.93 1.28 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.486 ' N ' HH21 ' B' ' 74' ' ' ARG . 23.8 m-20 -37.66 -34.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 546' ' ' ILE . 7.1 mt -80.15 -67.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 27.1 m -46.45 -18.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.475 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.517 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 11.8 p -82.11 -51.74 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.9 p -68.76 -46.88 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.177 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 542' ' ' ILE . 2.0 mt -55.2 -55.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.343 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.458 ' N ' HG22 ' A' ' 546' ' ' ILE . 91.7 mmm -59.25 -48.74 80.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.382 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.517 ' OD2' ' O ' ' A' ' 544' ' ' THR . 1.7 m-20 -52.36 -36.83 54.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 553' ' ' ARG . 11.1 t-20 -61.73 -55.76 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.266 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.438 ' CZ ' ' CD2' ' A' ' 566' ' ' LEU . 19.2 m-85 -43.24 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.432 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 551' ' ' LEU . 6.7 mp -90.03 -78.83 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.516 ' OE2' ' NH2' ' B' ' 42' ' ' ARG . 30.0 mm-40 -45.25 -43.12 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.66 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.634 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.0 OUTLIER 65.41 -94.11 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.096 1 N-CA-C 98.63 -4.581 . . . . 0.0 98.63 -179.713 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.1 OUTLIER 55.51 -67.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.263 -168.845 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.726 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -18.15 -32.29 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 167.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.742 ' O ' ' N ' ' A' ' 558' ' ' LEU . 96.9 mt -1.17 -57.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.273 2.327 0 CA-C-O 115.772 -2.061 . . . . 0.0 110.994 163.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.726 ' N ' ' O ' ' A' ' 555' ' ' ALA . 64.6 mm-40 9.38 -66.69 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 121.829 2.104 . . . . 0.0 111.144 171.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.742 ' N ' ' O ' ' A' ' 556' ' ' ILE . 4.4 mm? -107.71 164.11 12.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.452 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.8 tttp -126.68 -101.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 50.14 -95.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -145.86 158.54 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 31.0 p90 -163.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.635 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.624 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 11.3 p -50.95 -20.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.563 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.55 -75.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.39 -42.44 98.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 550' ' ' PHE . 13.0 tp -52.32 -37.52 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.623 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.19 -55.22 15.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 66.2 mt -45.04 -48.97 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -57.96 -68.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.8 tp -46.57 -23.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -86.52 -77.79 1.23 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.25 -21.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.345 . . . . 0.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 571' ' ' GLY . 20.5 tp -52.52 -57.51 9.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 575' ' ' MET . 65.9 m-85 -92.26 130.63 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 574' ' ' TYR . 31.0 mtm -57.15 -157.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.07 -116.11 0.04 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -59.93 123.42 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -169.11 133.79 2.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.89 -17.87 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.83 -40.91 81.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.68 -39.34 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.1 -32.56 69.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.541 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 15.7 t70 -75.91 -62.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.6 t -49.7 -49.57 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 28.3 tp -53.35 -45.8 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.46 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -49.79 -48.45 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 2.0 m -55.49 -55.04 36.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.442 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 53.9 mt -49.43 -39.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.436 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 9.5 t -74.38 -29.1 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.402 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 47' ' ' GLY . . . -52.91 -57.58 9.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.544 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 592' ' ' GLU . 81.3 mt -81.54 123.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.49 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 591' ' ' ILE . 52.7 mt-10 -42.84 -97.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 595' ' ' MET . 5.3 m-70 40.27 78.11 0.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.68 28.21 0.35 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.004 2.47 . . . . 0.0 112.087 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.413 ' H ' ' C ' ' A' ' 593' ' ' HIS . 16.2 mtt -89.95 -37.77 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 7.3 t -83.31 -2.21 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.7 t -40.09 -31.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.75 -55.73 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.51 -44.52 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -46.01 -55.97 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -55.74 -32.4 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.496 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -72.16 -65.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.66 -26.49 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -70.22 -57.73 6.63 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.9 t -45.71 -43.43 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.514 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.3 m -80.87 -178.2 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -109.55 112.2 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.75 156.04 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.485 ' O ' HD12 ' B' ' 67' ' ' LEU . 60.4 m-85 -113.8 140.1 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.655 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.0 t -118.77 106.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.21 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 583' ' ' ASP . 17.0 ttpt -88.12 137.95 31.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.481 ' O ' ' N ' ' B' ' 9' ' ' THR . 30.9 p -103.96 143.28 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 8' ' ' LEU . 83.0 mt -45.17 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.538 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.481 ' N ' ' O ' ' B' ' 7' ' ' THR . 1.5 p -78.52 -53.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.481 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.415 ' N ' ' OG1' ' B' ' 9' ' ' THR . . . 145.55 0.91 0.79 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -85.68 129.77 34.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -111.01 121.4 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.417 HD13 HG21 ' B' ' 13' ' ' ILE . 2.7 mt -107.15 127.83 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.64 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.483 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 3.6 m -101.8 125.26 48.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.414 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.55 139.13 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.863 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -83.57 113.6 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.117 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -139.39 168.64 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.681 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 68.4 mt-10 -122.45 149.33 54.99 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.272 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -21.4 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.946 2.431 . . . . 0.0 112.427 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -91.9 -18.66 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.681 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 7.5 m-20 -45.11 136.57 4.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 173.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.454 ' O ' ' N ' ' B' ' 25' ' ' ASN . 7.3 p -88.39 134.02 33.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -40.98 -52.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -38.14 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' B' ' 22' ' ' THR . 13.2 t-20 -63.48 -48.3 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.06 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -55.23 -46.44 77.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.128 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.88 -38.12 69.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.55 81.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.76 -40.11 78.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.261 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.85 -37.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -64.71 -35.72 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -69.3 -29.52 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -80.72 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -85.94 -84.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.598 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 151.68 13.02 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.468 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 55.3 mt -83.85 118.82 72.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.682 0.277 . . . . 0.0 110.532 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 136.79 14.49 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.66 2.24 . . . . 0.0 111.847 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.7 -67.44 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.764 2.309 . . . . 0.0 111.992 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -42.8 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 38' ' ' PRO . 53.4 mm-40 -101.91 57.11 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.584 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 69.6 mt-30 -153.07 134.24 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.516 ' NH2' ' OE2' ' A' ' 552' ' ' GLU . 11.6 ttm180 -123.87 106.79 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -102.09 113.52 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -106.91 133.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.268 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.628 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 64.4 t80 -123.6 171.33 9.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.628 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -50.22 83.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 150.89 -82.9 0.18 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -152.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.646 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -101.35 146.22 27.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.14 106.84 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.61 158.58 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 163.67 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 81.09 -68.74 3.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.4 mmt180 -42.59 169.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.295 . . . . 0.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.423 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 71.6 p -116.82 171.27 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.524 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.72 2.18 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 59' ' ' TYR . 80.1 p -90.77 -33.97 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.61 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 0.4 OUTLIER -73.91 24.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.49 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.0 m-85 -148.32 3.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 55.68 37.1 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -84.9 108.38 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.464 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -89.01 -170.67 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.666 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -73.32 160.61 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 55.03 26.73 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -85.28 129.75 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.7 m -91.14 134.7 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.485 HD12 ' O ' ' B' ' 4' ' ' PHE . 5.4 mp -117.32 174.77 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.541 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 17.9 m80 -123.82 105.93 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.222 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.4 tp -90.8 138.49 31.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.786 HG12 ' H ' ' B' ' 71' ' ' LEU . 8.9 t -148.25 177.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.338 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.786 ' H ' HG12 ' B' ' 70' ' ' VAL . 1.3 pt? -161.75 155.52 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' B' ' 71' ' ' LEU . 59.9 mtt180 -39.16 167.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.863 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.3 mm? -38.15 108.13 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.486 HH21 ' N ' ' A' ' 541' ' ' ASP . 31.0 ttp180 -79.08 100.97 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.84 -127.03 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLY . . . . . 0.535 ' OXT' ' CG ' ' C' ' 68' ' ' HIS . . . . . . . . 0 C--O 1.221 -0.671 0 CA-C-O 118.062 -1.41 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.457 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -86.92 121.65 29.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.484 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -127.94 147.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.08 150.82 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' C' ' 13' ' ' ILE . 61.0 t -131.9 95.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.337 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LYS . . . . . 0.402 ' CG ' HG23 ' C' ' 12' ' ' THR . 70.0 mttt -79.43 122.8 26.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 16.9 p -73.64 141.94 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.883 ' O ' HG23 ' C' ' 9' ' ' THR . 0.6 OUTLIER -31.66 -39.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.5 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.883 HG23 ' O ' ' C' ' 8' ' ' LEU . 0.8 OUTLIER -173.86 71.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.326 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.99 -91.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.576 ' CG ' ' N ' ' C' ' 12' ' ' THR . 0.4 OUTLIER -133.44 166.7 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.732 -179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.576 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.6 m -111.13 102.17 10.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' C' ' 5' ' ' VAL . 2.9 mt -83.8 148.29 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -125.59 127.62 46.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -123.86 147.07 47.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.954 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -98.38 86.44 3.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.252 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.568 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.7 m -104.38 -169.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.429 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 76.7 mt-10 -137.68 147.0 55.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.305 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.85 -17.31 0.26 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.86 2.374 . . . . 0.0 112.382 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -101.59 22.36 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 2.9 m-20 -94.25 132.52 38.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.47 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -81.55 141.87 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 mm -45.6 -53.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.45 -39.21 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.388 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 12.7 t-20 -63.41 -49.78 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.73 -53.17 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.252 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' LYS . . . . . 0.438 ' HG2' ' HZ3' ' C' ' 27' ' ' LYS . 63.3 mttm -51.94 -34.53 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.282 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -57.39 -33.98 68.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ILE . . . . . 0.402 HG21 HD13 ' C' ' 30' ' ' ILE . 13.1 mt -67.84 -41.75 85.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.405 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -61.15 -40.74 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.01 -28.54 68.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.76 -64.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -87.24 -109.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.04 21.62 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.463 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 41.7 mt -96.47 101.9 10.0 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.642 0.258 . . . . 0.0 110.492 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.08 144.43 3.95 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.665 2.243 . . . . 0.0 111.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -61.64 0.57 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.736 2.29 . . . . 0.0 111.972 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -41.82 -34.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.93 55.37 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.743 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.6 mt-30 -153.34 154.46 34.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.47 ' NH2' ' O ' ' A' ' 515' ' ' SER . 34.3 ttp180 -153.33 95.05 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.44 119.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.657 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.872 HD12 HG21 ' C' ' 70' ' ' VAL . 31.9 mt -119.02 140.27 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' C' ' 48' ' ' LYS . 82.1 t80 -147.89 141.75 25.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.52 40.52 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.45 99.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' C' ' 45' ' ' PHE . 58.5 mttp -145.42 119.41 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -75.83 132.46 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.64 119.69 27.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -71.58 158.42 36.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 104.75 13.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 148.86 -62.47 0.42 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.439 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 7.5 mmt-85 -46.53 175.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -115.35 172.63 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' C' ' 17' ' ' VAL . 83.1 mt -68.4 -16.18 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 30.3 p -76.73 -32.63 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -39.9 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.68 23.24 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 p30 40.44 31.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.75 100.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.364 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.39 -164.24 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -78.57 161.25 27.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.659 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 57.76 32.78 22.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.611 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -87.13 129.84 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -91.47 92.26 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.05 124.27 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' HIS . . . . . 0.535 ' CG ' ' OXT' ' B' ' 76' ' ' GLY . 65.0 m80 -83.67 96.44 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 21.4 tp -77.74 114.72 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.872 HG21 HD12 ' C' ' 44' ' ' ILE . 3.4 t -111.95 138.75 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.68 166.75 15.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.598 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.865 0.364 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 27.4 p -48.61 -30.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.44 73.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.41 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 490' ' ' ILE . 9.2 mm -45.49 -46.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.6 tp -45.88 -63.23 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.64 -67.69 1.57 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.544 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.1 mp -43.05 -32.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.524 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -58.62 -63.56 5.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.696 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.7 pp -74.97 8.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -87.87 -72.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.583 ' C ' ' H ' ' A' ' 499' ' ' GLY . 56.2 p90 -81.98 23.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.567 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 499' ' ' GLY . . . -65.65 12.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -40.02 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 58.6 m -170.07 -33.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 110.629 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -164.54 94.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -115.51 131.38 56.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 15.7 p-10 -84.94 -12.3 53.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -80.25 -24.38 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.999 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 497' ' ' PHE . 24.6 t -74.5 -64.21 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.192 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 510' ' ' LEU . 1.7 tp -55.69 -27.81 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -64.93 -61.04 6.17 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 511' ' ' PRO . 65.8 mt -84.67 -46.59 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -50.59 -57.02 9.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.614 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.3 tp -44.23 -65.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.984 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.688 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.69 -63.38 0.33 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.311 2.007 . . . . 0.0 111.785 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.47 -20.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.566 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -87.56 -34.5 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.605 ' C ' ' H ' ' A' ' 516' ' ' THR . . . -153.35 37.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.688 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -58.23 1.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.605 ' H ' ' C ' ' A' ' 514' ' ' ALA . 0.2 OUTLIER 80.34 101.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 516' ' ' THR . 11.2 t0 77.04 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 2.2 pp -173.95 147.71 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.21 110.05 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.798 2.332 . . . . 0.0 111.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.45 HD11 ' O ' ' A' ' 558' ' ' LEU . 6.9 pt -88.46 26.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.78 -38.87 64.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.2 t -101.79 -15.47 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -80.02 -79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 69.9 mtp -45.38 -35.13 3.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.3 -56.83 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 58.6 p -46.53 -42.41 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.57 -51.88 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.564 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.6 -38.95 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.0 OUTLIER -63.69 -46.79 83.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.4 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -58.31 -47.33 84.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 535' ' ' VAL . 95.6 t -78.06 -55.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.77 7.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 536' ' ' GLY . 14.7 p -46.3 -42.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.529 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -76.74 -69.62 1.37 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 89.9 m -82.13 113.27 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.81 -175.05 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -171.65 112.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.36 49.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 544' ' ' THR . 67.6 m-20 -41.67 -37.94 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.708 0.289 . . . . 0.0 110.604 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.44 -46.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 12.8 m -65.87 -46.19 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 19.4 p -46.74 -58.69 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.13 -58.62 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.341 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -30.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.4 tpt -73.88 -50.73 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -40.09 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.37 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 553' ' ' ARG . 5.0 t30 -70.67 -58.14 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -40.59 -30.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.652 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.5 -76.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 42' ' ' ARG . 67.6 mm-40 -51.56 -19.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 549' ' ' ASN . 10.2 mmt85 42.21 45.85 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.742 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -87.94 -152.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.52 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 35.36 22.53 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.742 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.1 tp -93.28 2.58 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.67 -11.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 556' ' ' ILE . 21.7 tp -136.09 94.77 3.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.586 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 560' ' ' THR . 95.0 mttt -84.82 140.92 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 54.4 m -169.2 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.528 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 560' ' ' THR . 68.5 m-20 -158.39 124.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.589 ' CZ2' HD11 ' A' ' 556' ' ' ILE . 10.4 p-90 -167.01 -30.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.623 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 97.3 t -45.67 -38.14 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -57.8 -76.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -50.96 -50.41 58.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 44.2 tp -46.16 -50.5 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.86 75.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.38 -52.36 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -52.05 -64.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.1 tp -49.86 -11.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -91.47 -76.21 1.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 7.0 tp -50.45 -25.24 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.623 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -41.33 -72.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.437 ' CZ ' ' NE2' ' A' ' 580' ' ' GLN . 66.2 m-85 -75.5 121.46 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 6.1 mmt -79.29 -55.87 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -127.67 -150.05 7.28 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 54.9 67.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -54.31 -33.54 52.85 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.37 -51.05 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.6 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.437 ' NE2' ' CZ ' ' A' ' 574' ' ' TYR . 0.1 OUTLIER -44.76 -56.18 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.6 t -49.27 -51.87 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -40.93 -44.11 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.88 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 17.2 t70 -62.02 -50.95 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 91.2 t -50.54 -56.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 44.0 mt -45.96 -46.27 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.27 -44.92 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.5 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 3.7 m -59.6 -66.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.64 -46.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 t -67.24 -34.08 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.513 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -47.67 -44.72 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.478 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 592' ' ' GLU . 93.4 mt -90.61 155.84 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 591' ' ' ILE . 61.7 mt-10 -60.21 -116.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.563 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.2 OUTLIER 44.8 74.7 0.75 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 4.8 4.67 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.959 2.439 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.13 -22.03 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 6.9 p -82.03 -4.0 55.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 82.0 p -43.18 -49.67 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -48.44 -38.12 18.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.1 mt -73.09 -49.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -45.61 -43.29 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.01 -38.05 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.3 tt -58.12 -67.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.77 -34.94 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.93 95.1 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 6.1 t -61.93 -52.8 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.0 m -80.37 121.27 25.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.602 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.56 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.459 ' O ' ' OE2' ' B' ' 64' ' ' GLU . 96.5 mt-30 -99.82 105.32 17.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -96.51 145.71 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -102.18 131.02 48.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 t -111.88 107.55 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.217 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.407 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 22.4 ttpt -85.79 134.36 33.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.687 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.517 ' C ' ' H ' ' B' ' 9' ' ' THR . 16.4 p -111.7 145.58 39.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.03 -5.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.517 ' H ' ' C ' ' B' ' 7' ' ' THR . 16.1 p -88.26 -5.78 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.02 -7.26 81.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -89.97 141.05 29.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.5 m -117.41 144.23 45.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mt -123.71 141.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.576 ' C ' HD22 ' B' ' 15' ' ' LEU . 3.0 m -109.22 112.91 25.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.888 HD22 ' N ' ' B' ' 15' ' ' LEU . 1.7 mm? -109.2 126.88 53.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.92 86.34 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.5 m -113.44 170.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.735 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 45.0 mm-40 -127.22 151.7 74.92 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.11 -26.14 2.11 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.873 2.382 . . . . 0.0 112.366 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 22.33 7.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.765 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.735 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.0 m-20 -94.06 137.37 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -86.48 143.63 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.63 -41.45 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.97 -41.1 77.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.451 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.39 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.32 -51.6 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.399 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -53.08 -42.33 65.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.76 76.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -55.64 -38.04 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.347 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.47 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.382 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.66 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.85 -30.83 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -74.97 -63.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -85.24 -87.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 163.85 6.77 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.0 mt -79.68 135.61 56.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.297 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.38 139.22 25.77 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.696 2.264 . . . . 0.0 111.971 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.611 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.28 -45.72 18.07 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.744 2.296 . . . . 0.0 112.075 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.9 22.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.611 ' H ' ' C ' ' B' ' 38' ' ' PRO . 61.2 mt-30 -154.07 50.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -149.3 143.1 25.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' A' ' 552' ' ' GLU . 37.0 ttm105 -134.23 108.62 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.09 128.37 46.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.631 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -125.98 134.48 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.9 t80 -117.33 175.28 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.587 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.49 -29.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.42 -89.58 0.66 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -146.58 -149.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.543 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.1 137.48 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -87.68 111.27 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 1.3 mp0 -79.99 157.67 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.24 147.74 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 100.3 -68.94 0.5 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -43.28 166.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.684 0.278 . . . . 0.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.439 ' HG1' ' HG ' ' B' ' 57' ' ' SER . 40.5 p -112.69 174.46 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.636 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.05 -15.39 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.439 ' HG ' ' HG1' ' B' ' 55' ' ' THR . 5.7 p -80.5 -15.98 55.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.647 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.2 -4.72 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.53 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -120.09 11.23 11.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.684 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 55.94 27.42 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -76.36 119.09 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -93.72 -165.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.97 157.8 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.459 ' OE2' ' O ' ' B' ' 2' ' ' GLN . 5.0 mm-40 57.9 24.37 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.574 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.8 m -77.24 130.69 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 m -90.88 106.5 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -93.49 169.75 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.88 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 7.9 m80 -117.8 108.23 15.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.392 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -94.36 142.4 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.46 127.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.12 161.06 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -57.48 -161.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.806 HD22 ' N ' ' B' ' 73' ' ' LEU . 2.8 mm? -71.71 85.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.431 ' CZ ' ' OD1' ' A' ' 541' ' ' ASP . 56.8 ttt180 -55.74 103.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.4 48.7 1.22 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.759 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.921 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -85.03 112.8 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.3 pt -118.63 152.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.641 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.445 ' CE1' ' OG1' ' C' ' 14' ' ' THR . 96.4 m-85 -107.27 147.78 29.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.1 t -131.79 95.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.7 120.99 24.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.942 HG23 ' O ' ' C' ' 11' ' ' LYS . 30.1 p -74.36 142.59 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.139 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.578 HD22 HG13 ' C' ' 70' ' ' VAL . 18.8 tp -43.45 -41.59 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.296 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.567 HG23 ' O ' ' C' ' 8' ' ' LEU . 24.1 p -159.19 60.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.244 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLY . . . . . 0.597 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -144.93 -82.34 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.942 ' O ' HG23 ' C' ' 7' ' ' THR . 0.1 OUTLIER -164.63 169.14 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.404 . . . . 0.0 110.799 -179.586 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.499 ' N ' ' HG3' ' C' ' 11' ' ' LYS . 24.2 m -97.07 108.94 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.509 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.29 137.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.725 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' C' ' 4' ' ' PHE . 78.2 m -111.09 122.02 46.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -121.74 135.7 54.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.757 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -88.58 78.35 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' C' ' 56' ' ' LEU . 5.0 m -95.87 -170.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.478 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 31.6 mt-10 -141.25 145.94 40.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.349 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.43 -24.2 2.54 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.861 2.374 . . . . 0.0 112.34 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.9 6.06 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 12.3 m-20 -86.6 141.7 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -173.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.4 p -91.38 136.78 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.554 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.2 mm -39.37 -54.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -48.15 -44.18 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.425 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 35.9 t-20 -58.11 -48.43 80.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -55.41 -53.83 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -48.69 -35.99 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.239 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.75 -49.94 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.244 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.71 -31.86 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.52 -46.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.86 -39.1 57.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -67.45 -62.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.01 -97.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.16 6.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 44.2 mt -78.88 126.96 81.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -73.43 144.66 36.77 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.585 2.19 . . . . 0.0 111.94 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.608 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.43 -48.3 13.76 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.831 2.354 . . . . 0.0 112.011 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.3 29.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' C' ' 38' ' ' PRO . 63.9 mt-30 -154.1 10.12 0.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 82.8 mt-30 -114.33 155.82 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.533 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -150.19 108.65 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.17 111.81 20.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.799 HD12 HG21 ' C' ' 70' ' ' VAL . 33.6 mt -115.18 123.97 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.512 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -119.32 107.05 12.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.78 25.07 14.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.88 65.03 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -100.77 105.48 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.644 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.28 130.61 41.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.43 131.39 34.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 9.6 mp0 -89.44 158.62 17.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.557 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.2 OUTLIER -70.39 163.23 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.59 -63.5 4.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' C' ' 54' ' ' ARG . 31.0 mmt-85 -46.82 165.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.548 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 54.6 p -111.48 166.83 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' C' ' 17' ' ' VAL . 71.0 mt -65.92 -17.46 64.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.604 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -78.76 -19.77 51.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -82.21 9.84 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -135.87 9.59 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 58.01 27.14 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.619 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -76.72 90.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -76.22 -157.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.665 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -81.15 159.73 24.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 58.52 34.36 23.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.722 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -90.07 129.58 36.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -90.67 115.28 27.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -106.57 121.36 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -81.06 103.65 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.94 119.29 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.799 HG21 HD12 ' C' ' 44' ' ' ILE . 1.6 t -116.87 149.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tp -87.29 157.55 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.656 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 20.6 p -48.51 129.84 16.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' A' ' 486' ' ' SER . 36.5 mtmt -77.8 131.25 37.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.9 pt -46.71 -17.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 484' ' ' LYS . 53.5 p -55.43 -59.99 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 487' ' ' SER . . . . . 0.428 ' N ' ' OG ' ' A' ' 486' ' ' SER . 51.2 p -46.73 -47.23 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.71 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -64.88 -66.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 15.5 mm -49.01 -39.62 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.58 -48.17 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.39 94.42 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.9 mp -59.94 -45.58 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.527 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.76 -40.6 72.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 495' ' ' ILE . 71.8 mt -81.88 -10.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.582 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.45 -76.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -87.32 28.21 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.72 -66.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.38 75.6 0.57 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 35.0 t -163.22 94.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -71.91 52.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -83.69 126.66 33.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -72.16 5.79 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.688 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -83.67 -66.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.94 -47.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.3 -43.06 98.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.12 -9.73 12.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 82.9 mt -111.45 -39.57 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.714 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 509' ' ' LEU . 61.3 mt -67.96 -54.4 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.513 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mt -43.12 -64.07 0.83 Allowed Pre-proline 0 C--N 1.331 -0.227 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.433 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.63 -55.59 3.45 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.602 2.202 . . . . 0.0 111.51 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 512' ' ' ILE . 76.3 mt -61.85 -11.0 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -103.36 -22.1 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' B' ' 73' ' ' LEU . . . -163.19 50.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.726 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.6 p -88.88 9.43 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.6 p 49.1 63.39 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 518' ' ' LEU . 26.1 t70 -173.71 -103.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -34.68 155.09 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -44.83 -175.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.952 2.435 . . . . 0.0 112.129 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.96 9.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 523' ' ' ALA . 89.7 mt-10 -64.12 -88.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.621 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 51.1 p -52.77 -7.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 521' ' ' GLU . . . -71.78 -61.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -45.28 -62.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.4 mtt -43.08 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.42 -55.15 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 20.3 p -41.28 -45.83 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.624 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.51 -41.13 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.0 -52.37 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.35 -53.65 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.49 -46.29 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.01 -47.27 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 535' ' ' VAL . 73.2 t -70.11 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.608 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.79 19.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 536' ' ' GLY . 8.3 p -47.06 -42.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.517 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -83.62 -77.61 1.11 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 64.7 m -74.88 110.86 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 20.7 p -89.78 126.14 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.473 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -83.33 -178.59 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 542' ' ' ILE . . . -96.15 -55.68 1.26 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -44.4 -22.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.422 ' N ' ' C ' ' A' ' 540' ' ' GLY . 96.7 mt -77.47 -78.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 4.7 m -42.8 -25.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 548' ' ' ASP . 22.6 p -70.4 -53.84 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.522 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -48.14 71.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.189 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.25 -39.54 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.473 ' C ' ' H ' ' A' ' 549' ' ' ASN . 19.4 ttm -70.79 -56.17 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.212 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 544' ' ' THR . 27.4 m-20 -54.02 -8.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.265 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 553' ' ' ARG . 61.3 t30 -87.45 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.191 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -46.58 -25.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.394 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.31 -79.6 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.374 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.515 ' CG ' HH12 ' B' ' 42' ' ' ARG . 15.0 mt-10 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.201 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 549' ' ' ASN . 9.2 ttp180 70.83 -78.43 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.736 ' O ' ' HB ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 54.94 -104.27 0.21 Allowed 'General case' 0 CA--C 1.543 0.682 1 N-CA-C 97.59 -4.967 . . . . 0.0 97.59 -169.607 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.693 ' C ' ' O ' ' A' ' 554' ' ' THR . . . -15.8 82.43 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -165.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.736 ' HB ' ' O ' ' A' ' 554' ' ' THR . 21.0 tt -130.93 -8.66 2.15 Favored 'Isoleucine or valine' 1 C--O 1.123 -5.585 0 C-N-CA 129.131 2.972 . . . . 0.0 110.999 -167.771 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 556' ' ' ILE . 29.4 mm-40 -34.65 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.364 1.233 1 O-C-N 129.288 4.117 . . . . 0.0 110.429 177.241 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 556' ' ' ILE . 47.2 mt -148.19 -179.93 7.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 560' ' ' THR . 57.1 tttm -172.46 145.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 29.3 m -167.82 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.466 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 40.5 p-10 -165.02 105.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -159.39 -8.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.41 -18.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -71.43 -55.13 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.61 -35.96 82.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.39 -55.59 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.65 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.46 -50.97 61.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -51.59 -56.94 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -45.6 -29.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.22 -66.38 1.92 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.5 pt -67.57 -6.46 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 569' ' ' ALA . 43.1 tp -46.21 -30.86 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -105.41 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 55.1 mtp -70.48 -43.74 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 151.72 -81.35 0.18 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -77.1 104.05 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -177.42 123.65 0.9 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -64.63 -6.2 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -50.36 -50.17 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 582' ' ' ASP . 8.5 p -56.45 -43.67 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.553 ' N ' HG13 ' A' ' 581' ' ' VAL . 1.1 m-20 -47.16 -47.1 23.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.29 -50.45 73.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.6 t -46.82 -56.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 68.2 mt -49.58 -35.4 20.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -60.09 -33.73 72.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 4.4 m -72.17 -45.32 60.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.543 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.74 -30.94 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 30.7 t -80.72 -31.18 36.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.05 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.1 tt -104.72 149.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.08 -134.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.511 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.94 73.8 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.43 14.65 0.92 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.038 2.492 . . . . 0.0 111.982 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 43.4 mtm -78.95 -38.36 37.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 596' ' ' THR . 0.0 OUTLIER -74.84 -2.43 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 62.5 m -41.34 -52.92 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.7 -41.83 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 602' ' ' LEU . 18.3 mt -67.28 -49.6 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.26 -30.96 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 36.2 t -79.36 -30.51 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.499 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -67.8 -67.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.71 -42.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.68 -60.52 8.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 23.7 p -45.22 -35.96 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.6 m -82.01 -178.83 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 48.13 -139.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -78.14 177.52 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 59.5 p 49.15 78.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.543 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 171.89 -73.08 0.1 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 55.9 p -54.5 158.08 2.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.941 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.595 ' HB3' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -101.95 106.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -102.42 151.87 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.09 156.85 17.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.21 106.24 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.129 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -92.18 121.26 33.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p -84.87 161.19 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.72 4.48 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.6 p -93.41 -52.35 4.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.07 57.65 0.02 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -165.72 153.54 10.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' B' ' 13' ' ' ILE . 89.9 m -121.03 155.57 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' B' ' 12' ' ' THR . 0.1 OUTLIER -134.48 129.26 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.666 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.531 ' C ' HD12 ' B' ' 15' ' ' LEU . 17.1 m -97.91 103.4 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.531 HD12 ' C ' ' B' ' 14' ' ' THR . 11.3 mp -108.99 132.2 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -88.12 113.11 23.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.4 m -133.38 -168.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.912 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.1 mt-10 -140.44 179.31 1.29 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.071 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.513 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.4 Cg_exo -74.63 -35.91 3.23 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.738 2.292 . . . . 0.0 112.169 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -76.26 -11.93 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.2 m-20 -60.43 135.86 57.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.534 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 4.1 p -89.98 136.1 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -41.98 -39.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.342 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.35 -45.02 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.316 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.434 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 2.9 m-20 -60.17 -38.12 82.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.224 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.66 -53.98 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -49.38 -40.36 35.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.272 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.9 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.324 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -53.67 -36.71 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.372 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -67.74 -49.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -52.16 -33.3 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.434 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -74.65 -35.86 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.47 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -68.18 -57.75 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.473 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.3 -95.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.71 6.95 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.466 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 68.5 mt -73.18 129.65 85.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.65 0.262 . . . . 0.0 110.433 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.97 138.29 25.53 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.588 2.192 . . . . 0.0 111.935 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.29 -50.66 9.82 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.3 . . . . 0.0 112.006 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.71 -3.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.543 ' H ' ' C ' ' B' ' 38' ' ' PRO . 28.3 mt-30 -135.02 68.53 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -152.82 157.63 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.716 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.515 HH12 ' CG ' ' A' ' 552' ' ' GLU . 22.0 ttm180 -151.09 103.78 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -100.07 125.41 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 mt -124.21 142.12 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.257 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.3 t80 -143.23 160.83 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.29 90.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 149.46 -61.88 0.42 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -175.91 -151.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -97.0 145.81 25.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -88.39 117.9 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.59 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -85.31 158.6 20.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.75 152.56 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 91.82 -66.33 2.24 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -40.89 164.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.648 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -110.54 155.5 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 56' ' ' LEU . 83.8 mt -56.03 -16.86 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.513 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 14.9 m -74.8 -38.34 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -54.48 -41.82 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.651 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -87.58 18.34 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.61 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.408 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 1.6 p-10 42.21 32.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.89 110.84 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.413 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -87.11 -172.07 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HB3' ' HB3' ' B' ' 1' ' ' MET . 14.6 ptpt -74.85 161.21 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 58.77 26.46 14.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -86.79 132.01 33.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -85.29 118.18 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.525 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.45 112.29 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -74.13 106.77 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.5 tp -99.56 133.79 43.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 t -136.91 144.53 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.541 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.7 mp -81.17 167.72 19.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.692 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 61.6 ttt180 -65.44 168.01 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 13.5 tp -79.55 92.69 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -134.62 -152.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.25 128.19 1.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.853 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.453 ' HB3' ' HB3' ' C' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -105.37 105.58 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.626 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 pt -95.98 149.19 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -105.46 148.77 26.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.56 95.71 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.153 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -81.2 130.05 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' THR . . . . . 1.001 HG23 ' O ' ' C' ' 11' ' ' LYS . 9.7 p -90.63 143.72 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.176 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.594 HD11 HG13 ' C' ' 70' ' ' VAL . 84.6 mt -36.13 -48.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.575 HG23 ' O ' ' C' ' 8' ' ' LEU . 21.6 p -158.96 51.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.377 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLY . . . . . 0.664 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -128.48 -71.48 0.15 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 1.001 ' O ' HG23 ' C' ' 7' ' ' THR . 0.0 OUTLIER -174.84 169.92 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.963 0.411 . . . . 0.0 110.775 -179.623 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.558 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 11.5 m -103.17 101.42 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 13' ' ' ILE . 1.6 mt -86.53 137.59 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -111.25 127.59 55.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.111 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mt -128.1 135.64 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.833 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.22 107.34 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.4 m -127.57 -172.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 1.6 mt-10 -135.7 178.47 1.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.109 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -74.77 -26.49 11.36 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.745 2.297 . . . . 0.0 112.135 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.46 1.18 55.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 5.3 m-20 -73.57 136.06 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -88.85 141.55 28.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.747 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 27.1 mm -45.63 -51.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.349 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -48.73 -42.33 34.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.306 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 26.0 t-20 -60.09 -45.53 92.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.189 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.92 -52.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.146 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -50.52 -34.51 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.21 -44.64 83.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -60.14 -34.69 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.39 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mt -70.6 -44.84 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -57.82 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -74.8 -34.42 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.46 -108.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.1 12.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -82.63 121.45 77.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 110.494 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.92 141.91 34.09 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.641 2.227 . . . . 0.0 111.88 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.61 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -46.75 16.07 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -61.43 8.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.61 ' H ' ' C ' ' C' ' 38' ' ' PRO . 34.5 mm-40 -141.88 35.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -126.87 171.44 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -172.12 95.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.68 117.58 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.961 HD12 HG21 ' C' ' 70' ' ' VAL . 48.3 mt -114.79 132.45 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -133.34 128.84 36.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.553 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.67 28.68 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.41 -14.17 55.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' C' ' 48' ' ' LYS . 1.4 mptm? -89.13 114.6 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.315 . . . . 0.0 110.616 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -74.31 134.61 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.68 131.89 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -93.28 159.13 15.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.05 157.56 36.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.521 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 92.31 -62.18 2.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 53' ' ' GLY . 25.8 mmt-85 -42.93 168.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 39.1 p -118.69 156.7 28.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.409 ' CD1' HG21 ' C' ' 17' ' ' VAL . 78.6 mt -59.07 -12.69 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -83.57 -30.88 26.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.65 -39.3 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.82 -1.96 57.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.63 1.67 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -46.09 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.02 -160.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' C' ' 1' ' ' MET . 50.0 pttt -80.3 160.2 25.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.768 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 54.01 25.89 5.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.73 129.84 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -86.65 111.97 21.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.31 125.79 50.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -81.82 105.17 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.18 112.49 15.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.961 HG21 HD12 ' C' ' 44' ' ' ILE . 2.2 t -120.2 155.4 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.734 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 20.9 mt -102.78 163.7 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.385 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' ARG . . . . . 0.517 HH21 ' NH2' ' C' ' 74' ' ' ARG . 53.0 ttt180 -156.57 156.04 32.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 27.8 tp -173.74 95.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.46 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ARG . . . . . 0.517 ' NH2' HH21 ' C' ' 72' ' ' ARG . 13.8 ptp180 -153.18 155.73 37.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.74 98.98 0.15 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.919 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.6 t -168.48 161.49 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.576 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -171.49 -60.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.63 -36.14 63.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 84.2 p -48.09 -43.17 30.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.623 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 67.9 m -64.37 -48.86 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -55.73 -29.23 59.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.58 49.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.2 -35.33 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.31 -70.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.518 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -44.41 -39.36 5.63 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 6.7 tp -68.06 -35.92 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 110.507 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.5 -35.31 61.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.83 -16.9 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -64.95 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 45.4 p90 -83.71 27.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.58 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.493 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -94.08 -150.59 27.1 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 15.5 p 43.58 71.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -72.8 53.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.53 -172.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.648 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -101.58 10.43 40.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.427 ' HG3' ' HZ1' ' C' ' 6' ' ' LYS . 71.6 tt0 -91.18 -46.93 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.208 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 16.0 t -41.86 -50.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.383 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 506' ' ' LEU . 9.9 mp -80.29 -36.62 34.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.525 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.02 1.7 1.24 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.513 HD11 ' O ' ' C' ' 8' ' ' LEU . 8.8 tp -139.63 -47.49 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.622 HD23 ' C ' ' A' ' 509' ' ' LEU . 4.8 tt -65.29 -54.79 23.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.544 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.4 tp -43.21 -62.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.766 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -47.23 -51.13 9.96 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.356 2.038 . . . . 0.0 111.677 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.8 mt -53.32 -17.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -83.87 -38.4 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -151.98 50.99 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.721 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -83.91 21.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 63.3 p 50.43 54.4 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.62 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -177.39 -30.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.602 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.6 mm? -85.45 141.78 37.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -46.89 -172.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.746 2.297 . . . . 0.0 111.915 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.655 HD11 ' O ' ' A' ' 555' ' ' ALA . 59.3 mt -104.88 -29.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -64.23 -68.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 32.0 p -49.54 -34.81 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -68.25 -49.78 58.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.83 60.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.4 mtt -71.56 -36.08 70.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -58.14 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.8 t -58.29 -31.01 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.8 tt -56.42 -59.89 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.71 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.1 tt -43.39 -50.71 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.84 -43.46 92.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -46.1 -49.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.452 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.6 t -72.54 -58.82 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.535 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -77.24 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 536' ' ' GLY . 15.0 p -47.6 -40.68 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.5 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -81.13 -99.34 0.37 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.02 110.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.408 ' SG ' HD11 ' A' ' 573' ' ' LEU . 28.6 t -94.93 131.17 41.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.76 178.19 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 542' ' ' ILE . . . -100.19 -57.33 0.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.524 ' CG ' HH22 ' B' ' 74' ' ' ARG . 72.1 m-20 -41.0 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 0.0 110.625 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 540' ' ' GLY . 97.1 mt -72.97 -59.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 10.2 m -58.28 -40.21 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 75.2 p -54.15 -57.58 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 70.8 p -60.16 -53.37 58.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.391 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.26 -37.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.09 -39.6 60.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.461 ' OD2' ' O ' ' B' ' 71' ' ' LEU . 76.8 m-20 -48.63 -36.15 15.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.222 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 553' ' ' ARG . 13.7 m-20 -77.84 -58.29 3.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -40.36 -36.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.434 ' HB2' HH22 ' B' ' 42' ' ' ARG . 37.4 mt -91.01 -77.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.6 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.12 -43.54 98.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.859 ' O ' ' C ' ' A' ' 554' ' ' THR . 26.6 ttm-85 72.68 -61.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.859 ' C ' ' O ' ' A' ' 553' ' ' ARG . 0.0 OUTLIER 26.77 -123.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 1 N-CA-C 97.718 -4.919 . . . . 0.0 97.718 -179.733 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.673 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 15.36 50.46 0.0 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.751 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -108.82 -2.63 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.717 -179.011 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' ILE . 33.2 mt-10 -33.84 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 556' ' ' ILE . 85.2 mt -137.07 175.85 9.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.353 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.444 ' O ' ' OG1' ' A' ' 560' ' ' THR . 34.6 pttt -176.27 127.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.693 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 m -168.62 68.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.508 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 560' ' ' THR . 36.2 t0 59.68 121.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.41 ' H ' ' H ' ' A' ' 563' ' ' VAL . 24.0 p-90 -179.42 -0.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.41 ' H ' ' H ' ' A' ' 562' ' ' TRP . 11.8 p -70.41 -35.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -60.01 -49.46 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -66.64 -53.08 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 tp -47.73 -56.38 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.87 -29.86 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 568' ' ' LEU . 1.7 tt -63.38 -59.73 4.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.7 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -53.69 -23.06 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -77.64 -66.59 1.75 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 572' ' ' ILE . 11.1 tp -63.92 -20.24 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.629 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.408 HD11 ' SG ' ' A' ' 538' ' ' CYS . 19.3 tp -46.0 -63.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.487 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -80.01 112.65 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.1 ttt -43.98 -80.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 169.43 -174.83 43.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.431 ' H ' ' HA ' ' A' ' 608' ' ' TYR . 14.1 mm100 44.89 73.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -179.79 131.37 1.64 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -68.52 3.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.669 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 578' ' ' GLY . 21.2 mt-30 -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.57 -36.89 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -54.09 -54.31 41.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 586' ' ' GLU . 16.2 t70 -55.54 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.8 t -40.96 -52.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.43 -33.1 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 583' ' ' ASP . 11.5 tt0 -60.94 -37.92 84.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.506 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.5 OUTLIER -65.45 -51.18 61.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.3 mt -48.37 -31.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.1 t -85.48 -21.82 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.531 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -67.97 -37.06 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 592' ' ' GLU . 2.4 tp -83.23 154.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.511 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 591' ' ' ILE . 94.3 mt-10 -59.48 -127.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.512 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 44.1 75.5 0.64 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.28 -0.62 10.27 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.024 2.483 . . . . 0.0 111.971 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 4.5 ptm -73.21 -10.62 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 44.6 p -79.5 -3.58 47.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 5.9 t -43.3 -45.76 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.93 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.88 -27.67 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -62.97 -50.94 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.22 -34.07 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.88 -69.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.57 -19.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.5 -64.75 2.83 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 m -53.67 -59.48 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.643 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 53.6 t -75.6 118.79 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 171.85 -174.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.431 ' HA ' ' H ' ' A' ' 577' ' ' GLN . 17.0 m-85 48.3 -130.35 1.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 53.4 p -48.56 -41.76 31.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.528 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 612' ' ' GLY . . . 82.47 -88.12 1.45 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 71.4 p -66.4 72.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.696 0 CA-C-O 118.0 -1.445 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.458 ' N ' ' O ' ' B' ' 17' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -105.68 121.15 43.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -124.44 153.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.454 ' HE1' ' HG1' ' B' ' 14' ' ' THR . 61.9 m-85 -106.3 143.84 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -123.56 105.75 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.314 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -80.78 158.6 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.713 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.3 p -139.3 143.43 37.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.8 -3.66 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.538 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -94.68 12.11 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.03 72.38 0.85 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -170.38 140.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 110.611 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -124.44 113.72 18.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.422 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -98.21 133.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.454 ' HG1' ' HE1' ' B' ' 4' ' ' PHE . 15.8 m -101.64 119.46 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.234 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.13 135.04 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -90.57 93.14 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.25 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.1 m -115.35 -166.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 2.5 mt-10 -136.93 177.71 2.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.037 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.16 -24.43 12.58 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.81 2.34 . . . . 0.0 112.35 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -89.1 -11.03 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.1 m-20 -60.16 141.52 55.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.666 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 67.3 p -92.29 147.46 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.66 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.628 HG22 ' HZ2' ' B' ' 27' ' ' LYS . 19.8 mm -50.0 -48.82 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.367 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -50.78 -41.02 56.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.335 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.484 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 14.2 t-20 -62.28 -43.97 97.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.331 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.25 -48.45 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.628 ' HZ2' HG22 ' B' ' 23' ' ' ILE . 42.7 mttp -53.62 -44.09 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.226 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.12 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.484 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.6 mttp -56.06 -43.93 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.216 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.27 -44.64 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.358 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.06 -42.57 89.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.474 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -69.85 -66.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.57 -110.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.06 25.65 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.562 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 49.8 mt -95.42 115.51 65.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.61 0.243 . . . . 0.0 110.511 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.04 137.94 12.9 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.65 2.233 . . . . 0.0 111.814 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -52.87 6.73 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.745 2.296 . . . . 0.0 112.036 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -70.1 38.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.502 ' H ' ' C ' ' B' ' 38' ' ' PRO . 52.9 mt-30 -158.11 40.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 33.2 mt-30 -146.02 110.82 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.819 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.434 HH22 ' HB2' ' A' ' 551' ' ' LEU . 72.3 mtp180 -89.93 108.18 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.1 121.82 39.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.939 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.47 139.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.17 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' B' ' 47' ' ' GLY . 84.9 t80 -153.6 116.8 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 47' ' ' GLY . . . 38.15 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.762 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -35.97 -75.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -174.87 -141.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.902 0.382 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -87.52 130.62 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.328 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.431 ' N ' HD23 ' B' ' 50' ' ' LEU . 8.2 mt -80.69 119.47 23.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.631 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -71.04 159.85 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -83.72 101.25 11.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.52 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 150.68 -63.27 0.4 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.697 ' HE ' ' N ' ' B' ' 54' ' ' ARG . 3.9 mmp_? -46.92 176.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.559 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 53.5 p -111.38 176.86 4.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' B' ' 17' ' ' VAL . 63.5 mt -80.23 3.15 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.734 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.414 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 20.7 p -92.29 -38.99 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -58.57 -29.44 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -95.48 8.66 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 52.16 28.07 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.09 104.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.99 -157.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -88.17 157.55 18.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.744 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.78 29.76 16.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -88.38 128.74 35.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.403 ' C ' HD12 ' B' ' 67' ' ' LEU . 10.6 m -88.9 110.55 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.565 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.7 mp -92.93 112.12 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.474 ' NE2' ' OD2' ' A' ' 583' ' ' ASP . 14.6 m80 -69.62 112.98 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.741 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.4 tt -102.58 125.77 49.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.712 ' N ' HD23 ' B' ' 69' ' ' LEU . 29.2 t -124.56 162.8 25.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.535 ' N ' HG12 ' B' ' 70' ' ' VAL . 5.0 mp -130.0 138.98 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' B' ' 74' ' ' ARG . 91.7 mtt180 -61.02 -171.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.936 HD22 ' H ' ' B' ' 73' ' ' LEU . 2.0 mm? -65.55 69.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.524 HH22 ' CG ' ' A' ' 541' ' ' ASP . 33.4 ttp85 -65.5 -1.44 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.96 -142.69 41.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.027 -1.43 . . . . 0.0 110.983 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.503 ' N ' ' O ' ' C' ' 17' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -82.21 117.64 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.41 HD12 HD22 ' C' ' 67' ' ' LEU . 6.1 pt -120.62 150.86 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.518 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.49 95.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.251 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LYS . . . . . 0.427 ' HZ1' ' HG3' ' A' ' 504' ' ' GLU . 31.1 ttpt -79.63 123.15 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.71 HG23 ' O ' ' C' ' 11' ' ' LYS . 74.9 p -70.63 150.1 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.211 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.736 HD13 HG13 ' C' ' 70' ' ' VAL . 16.1 tp -36.14 -28.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.573 HG22 ' C ' ' C' ' 8' ' ' LEU . 0.0 OUTLIER 167.87 73.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.489 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.01 -75.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.71 ' O ' HG23 ' C' ' 7' ' ' THR . 24.1 tttp -140.83 162.71 34.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.68 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.565 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 88.2 m -114.95 113.89 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.392 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.34 154.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.636 ' C ' HD12 ' C' ' 15' ' ' LEU . 4.7 m -122.53 109.21 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.636 HD12 ' C ' ' C' ' 14' ' ' THR . 10.6 mp -111.23 140.12 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.929 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -93.49 121.87 35.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.103 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' C' ' 1' ' ' MET . 3.7 m -144.49 -175.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.958 0.409 . . . . 0.0 110.944 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.593 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 34.8 mt-10 -132.2 147.45 65.8 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.134 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -30.43 7.28 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.969 2.446 . . . . 0.0 112.55 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -82.16 -12.29 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.118 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.593 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 21.1 m-20 -59.37 141.97 53.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.919 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -90.26 144.17 26.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.582 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -47.58 -55.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -46.31 -41.52 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.366 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -61.04 -42.04 97.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.235 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.32 -46.02 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.151 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -54.47 -41.32 69.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.123 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.04 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.17 -38.7 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.226 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.67 -40.69 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.328 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.452 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 34.1 tp60 -58.76 -38.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.344 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.97 -35.16 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.45 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -92.63 -108.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.98 19.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 40.0 mt -89.36 107.68 19.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.495 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.14 143.42 4.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.652 2.234 . . . . 0.0 111.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.93 -58.24 1.76 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.767 2.312 . . . . 0.0 112.012 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -48.72 -32.46 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.679 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -92.94 53.89 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 54.7 mt-30 -156.57 147.99 22.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.61 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.504 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 2.4 tpt180 -144.87 106.78 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.15 118.64 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.947 HD12 HG21 ' C' ' 70' ' ' VAL . 41.3 mt -120.58 123.98 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 50.4 t80 -140.87 154.91 46.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 44.04 42.7 5.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.67 46.2 59.55 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -159.73 135.24 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.644 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.504 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 34.2 tt0 -76.67 136.02 39.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.81 122.9 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -80.5 158.35 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 165.51 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.96 -64.35 4.25 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 12.9 mmt85 -46.25 168.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.6 p -111.29 171.12 7.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' C' ' 17' ' ' VAL . 62.3 mt -67.01 -14.52 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.442 ' C ' ' H ' ' C' ' 59' ' ' TYR . 83.6 p -77.31 -29.74 53.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' C' ' 58' ' ' ASP . 1.5 m-20 -74.01 15.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.692 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' C' ' 57' ' ' SER . 89.8 m-85 -144.97 20.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' C' ' 60' ' ' ASN . 2.0 p-10 43.14 36.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -81.6 97.3 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.353 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -82.18 -168.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.714 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.3 160.2 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 56.61 35.15 25.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.734 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -91.95 135.79 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -88.92 112.29 23.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.41 HD22 HD12 ' C' ' 3' ' ' ILE . 8.7 mp -98.89 112.42 24.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -73.22 102.09 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.17 117.04 22.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.947 HG21 HD12 ' C' ' 44' ' ' ILE . 1.4 t -122.54 121.84 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.461 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.93 144.34 36.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -112.17 47.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 mt -70.35 78.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -131.95 152.93 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.29 91.9 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.765 0 CA-C-O 118.033 -1.426 . . . . 0.0 110.961 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 7.4 p30 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 483' ' ' THR . 17.9 p -51.77 161.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -71.43 164.57 25.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.03 -12.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.592 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 17.4 t -54.16 -39.73 66.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 29.4 t -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.0 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -60.72 -69.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.1 mm -55.76 -25.28 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.8 tt -59.46 -67.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.494 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.4 -48.45 85.94 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 1.9 tp -60.77 -31.76 71.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.537 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -58.46 -55.34 31.29 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.9 tt -78.52 -7.23 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 0.0 110.684 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -69.13 -67.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 1.6 p90 -79.34 28.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -54.17 -59.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.517 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -101.55 66.57 0.45 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 68.9 p -156.17 77.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -86.5 57.48 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -94.94 177.4 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.75 3.6 40.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.527 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 32.1 tt0 -89.1 -57.02 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 31.9 t -41.09 -47.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.582 ' C ' ' H ' ' A' ' 508' ' ' LEU . 64.7 mt -72.41 -51.63 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -50.67 -3.69 0.05 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.582 ' H ' ' C ' ' A' ' 506' ' ' LEU . 9.5 tp -121.0 -56.71 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.78 -33.76 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.545 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.0 tp -62.13 -62.35 5.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.778 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.598 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -46.51 -55.45 3.76 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.419 2.079 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.94 -21.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.398 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -85.24 -23.74 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -169.65 59.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.657 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.1 p -74.28 -6.68 49.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.413 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.6 46.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -171.33 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 519' ' ' PRO . 19.3 mt -91.41 143.51 28.3 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.488 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -46.54 -173.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.754 2.302 . . . . 0.0 112.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 558' ' ' LEU . 7.9 mt -97.92 -21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -51.63 -93.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.5 p -41.3 -43.97 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.654 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.88 -53.59 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.24 -36.87 53.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.2 tpt -63.21 -51.54 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.47 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.496 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -60.85 -58.59 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.454 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.34 -55.0 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.0 -37.59 6.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -60.43 -41.58 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.467 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.45 -46.28 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.516 ' C ' ' H ' ' A' ' 535' ' ' VAL . 60.7 t -67.37 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.654 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.39 26.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.516 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.7 p -48.57 -30.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.51 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.57 -101.5 0.47 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 537' ' ' THR . 0.2 OUTLIER -62.21 121.23 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.547 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 573' ' ' LEU . 94.1 m -96.71 127.82 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.445 ' CG ' ' H ' ' A' ' 540' ' ' GLY . 9.4 t-20 -84.21 -178.21 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.445 ' H ' ' CG ' ' A' ' 539' ' ' ASN . . . -98.01 -55.8 1.11 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.477 ' O ' ' OG1' ' A' ' 544' ' ' THR . 63.8 m-20 -42.88 -31.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.39 -46.37 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.5 m -70.44 -23.55 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 32.9 p -69.08 -54.25 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 63.0 p -63.12 -51.28 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.223 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 547' ' ' MET . 0.9 OUTLIER -52.58 -50.4 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.315 179.741 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.456 ' N ' HG22 ' A' ' 546' ' ' ILE . 81.2 mmm -61.57 -49.17 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -46.59 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.249 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 553' ' ' ARG . 31.9 t-20 -54.3 -60.21 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.184 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -45.8 -34.31 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.358 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 42.1 mt -83.08 -77.18 0.25 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.538 ' CG ' HH12 ' B' ' 42' ' ' ARG . 27.1 mt-10 -55.17 -43.34 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.1 OUTLIER 71.01 -23.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.89 ' C ' ' H ' ' A' ' 556' ' ' ILE . 99.1 m -28.09 -40.65 0.02 OUTLIER 'General case' 0 C--N 1.26 -3.29 0 CA-C-O 125.327 2.489 . . . . 0.0 111.002 -162.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.747 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . -45.64 3.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 112.712 -2.04 . . . . 0.0 109.56 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.89 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -42.66 -3.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.286 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.739 ' N ' ' O ' ' A' ' 555' ' ' ALA . 33.9 mt-10 -78.49 70.22 4.81 Favored 'General case' 0 CA--C 1.547 0.849 1 N-CA-C 98.972 -4.455 . . . . 0.0 98.972 -175.635 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 558' ' ' LEU . 1.4 pt? -110.14 -179.85 3.9 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.457 ' N ' ' HG ' ' A' ' 558' ' ' LEU . 56.6 tttm -145.91 -11.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.5 p -148.14 -137.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.657 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -78.16 166.81 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 8.1 p90 -171.38 -45.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.609 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.8 p -49.99 -24.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -72.3 -74.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -55.14 -48.19 74.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 tp -49.77 -56.76 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.54 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.72 75.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.3 tp -45.79 -43.53 13.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.43 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.22 -4.15 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -86.58 -61.34 1.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.3 tt -76.64 -14.8 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.472 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 19.9 tp -43.21 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -64.12 121.24 13.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.582 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 1.0 OUTLIER -80.36 -67.14 0.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.582 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -73.72 63.93 1.89 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -49.74 144.13 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.594 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 162.36 -133.63 3.18 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -57.42 -23.21 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -58.84 -51.24 70.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.54 -34.57 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.89 -42.81 80.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -65.97 -41.35 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -50.68 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.72 -47.95 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -49.1 -44.68 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 1.3 m -64.91 -49.54 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.27 -21.06 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.518 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 48.8 m -90.09 -25.9 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.25 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 2.3 tp -87.67 156.83 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.551 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -70.09 -114.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 595' ' ' MET . 36.4 m80 41.15 53.03 6.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.49 -10.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.019 2.48 . . . . 0.0 112.02 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 593' ' ' HIS . 10.7 mmt -76.69 -12.27 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 59.8 p -81.89 -9.99 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 9.9 t -45.79 -42.74 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.07 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.96 -47.36 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.626 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -53.24 -46.91 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.1 -26.18 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 602' ' ' LEU . 2.1 tt -76.84 -71.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.05 -33.59 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.17 -49.33 62.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 36.6 m -52.09 -51.57 56.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.23 118.41 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 179.67 176.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 46.3 87.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.537 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 10.6 t -156.29 -158.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 612' ' ' GLY . . . 47.86 -173.01 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 7.7 p -63.03 -0.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 118.051 -1.416 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.514 ' SD ' HG23 ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -86.09 112.78 21.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.445 HG23 ' SD ' ' B' ' 1' ' ' MET . 5.2 pt -102.82 150.63 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.697 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -103.43 142.15 34.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.32 106.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.383 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -96.33 122.99 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.491 ' C ' ' H ' ' B' ' 9' ' ' THR . 80.9 p -85.03 157.11 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.08 2.25 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.491 ' H ' ' C ' ' B' ' 7' ' ' THR . 30.6 p -93.61 -45.73 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.5 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.67 5.63 1.93 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -97.46 137.42 36.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -111.84 146.86 36.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.76 129.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.687 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -97.25 128.77 44.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -130.77 132.35 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.15 114.31 21.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.301 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.514 HG23 ' SD ' ' B' ' 1' ' ' MET . 5.4 m -137.23 -174.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.562 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 84.9 mt-10 -142.6 147.4 42.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.251 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.76 -10.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.744 2.296 . . . . 0.0 112.216 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -106.28 15.96 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 3.3 m-20 -89.63 133.36 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.433 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.1 p -82.13 134.61 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.1 mm -41.81 -50.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -51.3 -39.5 57.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.321 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 22' ' ' THR . 13.3 t-20 -63.03 -42.77 99.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.286 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.11 -51.97 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.354 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -50.51 -42.49 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.297 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.35 89.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -56.83 -41.41 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 mt -63.2 -48.04 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.486 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -54.78 -32.69 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 38.5 t0 -74.9 -26.74 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -81.98 -64.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -84.8 -106.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.03 13.43 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.479 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 53.3 mt -83.44 127.91 66.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.552 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.38 141.58 32.04 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.632 2.221 . . . . 0.0 111.94 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.667 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.63 -50.97 9.69 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.797 2.332 . . . . 0.0 112.028 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.76 9.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.667 ' H ' ' C ' ' B' ' 38' ' ' PRO . 49.0 mt-30 -143.83 54.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -147.32 129.78 15.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.538 HH12 ' CG ' ' A' ' 552' ' ' GLU . 20.6 ttm180 -125.54 109.73 13.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.421 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -98.95 125.17 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -124.78 139.97 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.375 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 80.4 t80 -130.25 176.96 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -38.58 -28.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -86.15 -92.06 0.89 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -146.74 -144.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.376 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -91.83 135.73 33.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -83.98 129.22 34.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.604 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -93.02 159.02 15.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -67.23 162.2 23.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.03 -68.14 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.8 mmt180 -41.37 166.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.586 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -115.22 162.81 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.5 mt -55.08 -40.74 70.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -56.22 -24.12 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.543 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 6.0 m-20 -80.86 26.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 78.8 m-85 -155.41 8.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.626 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 55.59 26.83 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.708 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.95 95.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.414 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -67.47 -156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -90.87 159.15 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.769 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 56.72 28.48 14.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -80.57 132.12 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -89.48 109.4 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.27 125.37 41.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.531 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 105.0 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.3 tp -96.51 134.62 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.3 t -133.2 152.29 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.6 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.9 mp -89.04 166.83 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.505 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 35.1 ttt180 -67.31 167.33 12.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.477 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 6.8 tp -75.88 60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -88.32 -171.9 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 -115.17 4.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.939 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.407 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.67 104.0 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.9 pt -101.67 147.84 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -104.9 139.4 39.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.785 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.68 96.06 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LYS . . . . . 0.527 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 32.2 ttmt -80.03 118.94 22.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.776 HG23 ' O ' ' C' ' 11' ' ' LYS . 56.2 p -77.19 142.63 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.173 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.526 HD22 HG13 ' C' ' 70' ' ' VAL . 14.3 tp -39.25 -49.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.528 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.478 HG23 ' O ' ' C' ' 8' ' ' LEU . 31.5 p -156.75 68.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.77 -82.66 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.776 ' O ' HG23 ' C' ' 7' ' ' THR . 0.1 OUTLIER -155.88 167.1 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.657 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.568 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 24.5 m -107.59 102.44 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.37 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -76.23 164.13 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -136.95 121.55 18.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.31 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mt -130.21 141.82 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.847 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -86.86 116.6 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.2 m -130.53 178.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.708 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.619 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 12.4 mt-10 -131.19 144.45 53.55 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.371 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -11.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.83 2.353 . . . . 0.0 112.244 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.8 OUTLIER -96.97 -23.31 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.723 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.619 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -49.14 140.38 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.451 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 4.2 p -95.78 137.07 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.98 -47.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.465 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -50.36 -49.92 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.292 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' OG1' ' C' ' 22' ' ' THR . 2.9 m-20 -56.27 -44.05 79.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.271 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.84 -54.93 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.179 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 79.8 mttt -49.26 -38.19 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -61.0 -47.38 86.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.408 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.05 -32.54 71.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -70.05 -38.86 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -65.07 -35.93 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.22 -21.34 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -85.16 -60.2 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -89.26 -82.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.25 1.31 0.06 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 55.9 mt -73.84 133.65 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.497 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -74.12 142.03 30.26 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.671 2.247 . . . . 0.0 111.898 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.606 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.25 -46.43 16.7 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.773 2.315 . . . . 0.0 112.008 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.69 27.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.606 ' H ' ' C ' ' C' ' 38' ' ' PRO . 58.4 mt-30 -156.96 42.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.402 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 74.9 mt-30 -147.11 111.05 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.539 ' HE ' ' CD ' ' C' ' 49' ' ' GLN . 2.9 tpt180 -103.47 102.14 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.16 115.74 19.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 1.03 HD12 HG21 ' C' ' 70' ' ' VAL . 67.7 mt -117.59 141.35 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -144.33 118.36 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 31.39 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 4.41 85.25 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -106.8 117.32 33.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.539 ' CD ' ' HE ' ' C' ' 42' ' ' ARG . 14.8 tt0 -73.32 130.81 40.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.48 140.03 30.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -92.8 159.05 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.43 162.75 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.67 -52.99 4.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -53.29 153.05 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 14.3 p -92.85 164.47 13.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.8 -37.25 83.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.709 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.402 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 19.8 p -57.1 -23.82 49.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.658 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.53 20.02 0.59 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -148.75 10.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.508 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 55.54 25.81 8.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.5 mt -74.32 93.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.493 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -73.03 -156.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.68 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -91.09 162.6 14.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.763 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 58.19 18.22 5.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.733 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.9 m -69.24 170.18 10.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -126.97 94.96 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.593 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.29 119.99 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -79.83 100.09 7.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.15 101.46 9.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.449 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 1.03 HG21 HD12 ' C' ' 44' ' ' ILE . 1.6 t -101.72 128.67 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.69 159.44 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -100.49 31.9 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 35.9 tp -44.1 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -156.05 109.6 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.605 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 43.72 26.55 0.76 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.994 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 484' ' ' LYS . 17.6 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 3.6 t -52.34 -11.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 482' ' ' ASP . 44.2 mttp -63.3 93.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.571 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 4.6 tp -44.94 -26.15 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 49.3 m -56.73 -56.32 23.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.9 t -45.78 -68.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -45.16 -38.26 5.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.623 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.91 -73.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 21.5 mm -53.36 -16.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.5 -79.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.456 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.54 -45.56 53.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.21 -22.93 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -62.06 -41.82 99.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 495' ' ' ILE . 93.4 mt -87.4 -13.72 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.639 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.54 76.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 499' ' ' GLY . 63.3 m-85 -44.16 -35.51 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.1 -12.07 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -79.83 93.43 1.38 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 2.0 m 64.94 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -78.28 54.67 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -77.91 -170.5 1.92 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 15.34 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -87.66 -52.56 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.288 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 497' ' ' PHE . 50.0 t -43.6 -40.01 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.336 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 508' ' ' LEU . 16.0 mt -77.23 -48.52 17.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.08 -9.6 0.12 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 506' ' ' LEU . 38.8 mt -109.72 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.775 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.41 -36.51 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.3 mt -58.58 -66.01 1.63 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.3 -63.51 0.32 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.644 2.229 . . . . 0.0 111.824 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 64.9 mt -51.91 -19.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -98.61 -26.52 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.538 ' HB1' HD12 ' B' ' 73' ' ' LEU . . . -157.61 62.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.508 ' OG ' HD11 ' A' ' 518' ' ' LEU . 2.0 p -103.98 -0.38 28.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.374 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 63.4 p 50.39 37.07 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -145.6 9.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -164.71 154.27 11.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.637 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.464 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.49 -178.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.96 2.44 . . . . 0.0 111.944 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.471 ' H ' ' CD1' ' A' ' 558' ' ' LEU . 14.0 pt -139.51 40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.67 -47.92 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 85.0 m -84.84 -19.78 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.18 -47.13 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.04 -54.65 40.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.0 mtt -54.62 -45.81 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -60.36 -47.07 87.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 m -44.96 -49.87 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.5 tp -57.91 -59.57 5.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.86 -34.39 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -65.86 -31.05 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.384 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 528' ' ' LEU . . . -73.26 -53.43 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.41 ' ND1' ' N ' ' A' ' 532' ' ' HIS . 0.3 OUTLIER -49.58 -47.15 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.663 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.9 t -64.08 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -73.7 25.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -50.84 -42.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -84.13 -56.33 2.59 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 40.8 p -69.57 -169.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 24.0 p -167.65 170.04 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -158.52 163.22 37.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -89.83 -46.44 4.23 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -31.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.719 0.295 . . . . 0.0 110.592 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 92.1 mt -70.26 -74.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.7 m -43.42 -46.89 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.486 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 20.6 p -47.82 -58.36 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 74.1 p -58.48 -59.42 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.31 -32.06 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.284 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 549' ' ' ASN . 7.1 tpt -75.68 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER -42.92 -24.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.413 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 553' ' ' ARG . 77.1 m-20 -79.95 -53.82 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -49.44 -34.23 16.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.3 mp -85.11 -77.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.04 -43.17 75.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.701 ' O ' ' N ' ' A' ' 555' ' ' ALA . 6.1 ttm180 72.42 -69.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.729 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 38.09 -56.1 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.224 1 C-N-CA 136.215 5.806 . . . . 0.0 104.506 -177.447 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -37.25 -18.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.244 0.545 . . . . 0.0 109.777 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.729 ' N ' ' O ' ' A' ' 554' ' ' THR 0.268 0.8 OUTLIER -4.36 -43.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 161.568 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.731 ' N ' ' O ' ' A' ' 555' ' ' ALA . 14.7 mm-40 5.12 -64.06 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.64 167.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' A' ' 556' ' ' ILE . 20.5 mt -104.27 163.88 12.11 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -141.48 -170.92 3.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 2.9 m 68.45 108.42 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 59.66 104.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.8 p90 -172.88 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.627 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.6 p -71.1 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -52.76 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -52.0 -48.47 64.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.5 tp -49.55 -40.96 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -59.54 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 14.8 mt -46.48 -44.45 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -55.65 -69.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -43.44 -24.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.63 -73.6 1.13 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.4 mm -64.44 -5.46 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.462 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.459 HD23 ' CE2' ' A' ' 574' ' ' TYR . 32.2 tp -43.23 -67.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 573' ' ' LEU . 67.9 m-85 -81.64 -155.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.2 tpt -165.94 142.09 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 52.38 -169.34 0.65 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 50.74 -162.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -173.42 -31.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -43.7 -47.96 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 580' ' ' GLN . 9.2 mp0 -57.67 -47.89 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.64 -53.55 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 12.7 m-20 -47.27 -38.98 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.477 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.88 -54.78 40.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 41.2 t -52.21 -62.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.9 mp -46.67 -49.3 19.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -44.53 -42.2 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 0.2 OUTLIER -62.99 -49.89 72.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 64.9 mt -46.08 -47.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -60.52 -30.86 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -57.45 -62.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 23.7 mm -78.01 81.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 55.08 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 0.1 OUTLIER -163.67 76.82 1.71 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.473 ' C ' ' N ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.18 -167.76 0.46 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.96 2.44 . . . . 0.0 111.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.481 ' O ' ' N ' ' A' ' 597' ' ' SER . 15.9 ptt? -47.39 -13.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.473 ' N ' ' C ' ' A' ' 594' ' ' PRO . 5.6 m -48.39 -11.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 595' ' ' MET . 67.7 m -48.06 -42.77 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.73 -42.88 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.47 -48.71 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -45.95 -50.43 14.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.33 -50.42 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.32 -63.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.41 -18.52 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -75.51 -71.75 1.12 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 64.8 m -43.82 -37.74 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.9 t -78.87 127.75 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -174.37 160.82 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 610' ' ' GLY . 88.2 m-85 45.88 37.2 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 82.8 p -46.25 91.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . 61.72 119.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 2.9 t -55.39 147.68 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.289 . . . . 0.0 110.6 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.759 0 CA-C-O 117.96 -1.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.53 115.84 22.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 pt -117.97 154.57 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.75 142.24 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.632 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.48 105.63 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -88.4 127.18 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.486 ' C ' ' H ' ' B' ' 9' ' ' THR . 34.8 p -93.03 152.26 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.454 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.09 9.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.557 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.486 ' H ' ' C ' ' B' ' 7' ' ' THR . 23.8 p -98.55 -43.93 6.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.75 24.94 0.57 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -125.35 136.42 53.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -112.45 125.68 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.407 HG21 HD13 ' B' ' 13' ' ' ILE . 3.9 mt -107.55 132.1 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.582 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.7 m -101.76 113.37 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.28 166.9 10.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -121.96 102.55 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' B' ' 56' ' ' LEU . 8.5 m -127.18 -163.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.456 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.0 OUTLIER -140.46 178.12 1.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.097 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -75.19 -27.54 9.64 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.803 2.335 . . . . 0.0 112.142 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.79 18.28 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.739 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.39 136.94 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -85.86 144.78 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.51 -41.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.88 -43.62 77.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.37 -38.96 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.36 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.49 -54.56 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -50.32 -41.69 51.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.239 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.09 92.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.65 -38.13 77.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 mt -65.32 -42.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.306 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.78 -41.7 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.25 -28.62 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.364 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -75.6 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.49 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -97.59 -99.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.82 29.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.464 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 74.9 mt -101.0 101.9 17.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.655 0.264 . . . . 0.0 110.533 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.38 140.12 8.66 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -63.13 0.35 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.733 2.288 . . . . 0.0 112.056 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 15.2 t70 -37.97 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' B' ' 38' ' ' PRO . 14.1 mm100 -103.95 64.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -157.27 150.7 23.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.548 ' NH2' HD22 ' A' ' 551' ' ' LEU . 45.5 ttp180 -141.68 103.43 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.6 mt -97.37 129.71 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -135.36 145.25 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 87.3 t80 -130.78 170.28 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.557 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.87 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.49 -71.38 1.28 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -172.4 -156.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -79.39 130.03 35.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.17 127.27 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -76.64 159.01 30.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.97 64.47 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . -174.95 -57.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.7 mmt85 -47.13 176.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.0 p -115.41 167.3 10.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.559 ' CD1' HG21 ' B' ' 17' ' ' VAL . 82.4 mt -68.75 -13.17 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 17.0 p -81.01 -28.46 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.44 -37.8 83.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -86.99 14.9 6.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 49.07 37.1 9.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.4 mt -82.7 107.39 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -84.34 -156.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.763 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -86.39 159.67 19.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 55.94 37.07 28.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.703 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.9 m -100.14 136.43 40.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -88.5 137.86 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -126.21 119.83 28.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -70.91 132.61 45.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.729 ' C ' HD23 ' B' ' 69' ' ' LEU . 5.9 tt -124.06 119.63 30.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.65 ' N ' HD23 ' B' ' 69' ' ' LEU . 3.3 t -124.28 153.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.603 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 22.0 mt -120.43 148.67 43.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.5 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 71' ' ' LEU . 72.6 mtp180 -44.87 172.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.28 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.793 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.5 mm? -41.26 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.469 ' NH2' ' CA ' ' C' ' 47' ' ' GLY . 45.9 ttt-85 61.24 136.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.31 156.77 21.89 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.792 0 CA-C-O 118.056 -1.413 . . . . 0.0 110.964 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.25 112.92 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.413 HD12 HD12 ' C' ' 67' ' ' LEU . 14.3 pt -115.62 148.42 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.642 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -102.18 148.21 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' C' ' 13' ' ' ILE . 77.4 t -124.83 95.41 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.171 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -83.43 130.5 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.925 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 67.8 p -92.06 147.29 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.675 HD11 HG13 ' C' ' 70' ' ' VAL . 87.9 mt -32.11 -49.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.612 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.517 HG23 ' O ' ' C' ' 8' ' ' LEU . 23.8 p -157.52 22.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.408 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLY . . . . . 0.528 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -96.46 -106.01 2.26 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.579 ' N ' ' OG1' ' C' ' 7' ' ' THR . 27.0 mtpt -129.9 172.28 11.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 83.0 m -111.08 82.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.211 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -68.43 139.77 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.57 ' C ' HD12 ' C' ' 15' ' ' LEU . 17.2 m -112.81 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.57 HD12 ' C ' ' C' ' 14' ' ' THR . 11.1 mp -109.35 161.59 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.75 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -114.97 106.97 14.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.4 m -131.18 -162.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.781 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.43 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 2.2 mt-10 -140.27 176.45 2.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.076 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.39 -25.41 11.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.735 2.29 . . . . 0.0 112.213 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.59 -1.53 58.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.764 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.49 141.85 50.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -88.66 141.25 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.74 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 22.8 mm -45.89 -56.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.41 -42.16 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' C' ' 29' ' ' LYS . 8.5 t-20 -61.25 -46.66 89.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.122 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.0 -50.34 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.156 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -53.97 -32.95 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.19 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -65.09 -50.97 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.281 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' C' ' 25' ' ' ASN . 51.3 mttp -57.07 -38.79 73.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.342 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 mt -65.12 -38.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -62.69 -39.55 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -69.59 -23.65 63.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -81.93 -60.37 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -89.56 -93.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.67 23.48 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.577 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 34.5 mt -96.1 101.73 9.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.698 0.285 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.96 140.92 6.62 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.697 2.265 . . . . 0.0 111.825 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.19 -36.55 17.01 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.796 2.331 . . . . 0.0 111.954 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -76.28 19.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.68 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' C' ' 38' ' ' PRO . 40.9 mm-40 -143.55 -1.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 86.2 mt-30 -98.26 145.99 26.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.61 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 8.7 ttt180 -143.99 101.18 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.4 113.93 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.65 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.96 HD12 HG21 ' C' ' 70' ' ' VAL . 35.1 mt -113.03 133.83 57.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.443 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -144.89 138.4 26.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.548 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.95 22.96 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.469 ' CA ' ' NH2' ' B' ' 74' ' ' ARG . . . 84.18 -7.39 71.74 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -100.57 128.18 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.526 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 24.0 tt0 -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.04 115.94 21.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -78.04 158.37 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.96 165.24 24.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.26 -31.73 4.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.35 178.56 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 62.4 p -122.42 165.05 16.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.559 ' CD1' HG21 ' C' ' 17' ' ' VAL . 96.1 mt -66.25 -4.8 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 7.5 t -90.76 -21.3 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' C' ' 58' ' ' ASP . 1.7 m-20 -81.62 13.05 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -139.52 9.14 2.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 56.37 23.26 7.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.7 mt -69.8 91.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.397 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.6 -160.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -80.61 156.13 26.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.679 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 62.45 33.48 16.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.764 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 38.6 m -90.25 132.04 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.469 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.99 108.68 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.413 HD12 HD12 ' C' ' 3' ' ' ILE . 13.9 mt -97.39 119.7 36.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -77.29 103.69 7.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 tp -79.14 111.12 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.485 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.96 HG21 HD12 ' C' ' 44' ' ' ILE . 1.9 t -118.8 127.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.513 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.572 HD12 ' N ' ' C' ' 71' ' ' LEU . 9.7 mp -73.54 165.11 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -130.27 37.98 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.498 ' C ' HD23 ' C' ' 73' ' ' LEU . 1.9 tt -69.8 94.83 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.492 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -159.61 72.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.637 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.13 126.63 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.734 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.936 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 51.3 p -67.86 168.9 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 486' ' ' SER . 41.0 mttp -78.98 116.73 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ILE . . . . . 0.647 ' N ' HD13 ' A' ' 485' ' ' ILE . 0.1 OUTLIER -60.54 0.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.634 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.511 ' H ' ' C ' ' A' ' 484' ' ' LYS . 24.3 p -75.2 -35.38 61.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.538 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 24.0 t -66.52 -51.82 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -57.21 -35.66 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -58.2 -59.46 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.02 -31.3 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 7.5 tp -54.83 -70.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.31 -36.26 57.19 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 7.2 tp -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.402 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.28 96.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.9 mm -77.12 -8.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -76.77 -70.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 48.9 p90 -81.27 25.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -51.04 -64.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.01 83.86 0.85 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 28.2 t -155.4 -62.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm 54.8 75.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 44.2 t30 -119.14 -176.07 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.484 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.1 p30 -88.5 -2.65 58.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -88.75 -53.31 4.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.406 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.4 t -40.67 -43.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.549 ' C ' ' H ' ' A' ' 508' ' ' LEU . 39.3 mt -77.64 -48.6 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.548 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.25 -6.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' A' ' 506' ' ' LEU . 4.2 tp -118.0 -55.87 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -39.76 95.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 513' ' ' ALA . 14.5 tp -56.85 -62.1 5.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.82 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.575 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.97 -62.49 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.383 2.055 . . . . 0.0 111.591 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 83.1 mt -44.76 -25.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -78.31 -46.01 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.48 ' CB ' HD12 ' B' ' 73' ' ' LEU . . . -148.47 54.46 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.0 OUTLIER -79.69 14.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 515' ' ' SER . 68.8 p 51.32 57.18 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.595 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 518' ' ' LEU . 55.6 t0 -166.38 -111.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.632 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.619 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -35.86 154.3 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.77 -175.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.894 2.396 . . . . 0.0 112.021 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.8 pt -119.95 24.1 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.71 -62.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.9 m -68.66 -23.31 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.09 3.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -69.72 -57.82 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.1 mtt -57.98 -46.32 85.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.47 -49.01 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.8 m -64.4 -19.68 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -70.88 -66.75 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -55.01 -30.41 59.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.3 tt -61.65 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.47 -28.93 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.22 -58.31 7.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.31 -45.32 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.94 23.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 531' ' ' ALA . 10.4 p -61.78 -36.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -64.18 -100.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.2 t -59.01 -168.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.599 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.505 ' N ' ' OG1' ' A' ' 537' ' ' THR . 84.4 m -148.39 179.43 7.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -156.65 175.73 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 544' ' ' THR . . . -93.52 -52.88 1.92 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -41.58 -59.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.09 -51.37 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 544' ' ' THR . 7.4 m -62.85 -72.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 543' ' ' THR . 45.7 p -22.44 -56.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.821 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 p -59.83 -56.92 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -51.07 -51.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.41 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.508 ' N ' HG22 ' A' ' 546' ' ' ILE . 6.3 tpt -55.45 -44.33 76.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -56.93 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 553' ' ' ARG . 80.4 m-20 -54.3 -55.64 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -41.71 -38.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.98 -73.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.62 ' CD ' HH22 ' B' ' 42' ' ' ARG . 59.5 mm-40 -47.34 -54.7 10.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.728 ' O ' ' N ' ' A' ' 555' ' ' ALA . 8.4 mmt-85 85.48 -73.63 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 1 N-CA-C 99.944 -4.095 . . . . 0.0 99.944 165.803 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.735 ' O ' ' N ' ' A' ' 556' ' ' ILE . 93.9 m 15.03 -72.3 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.204 -1.56 . . . . 0.0 109.705 168.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -24.31 -30.56 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.878 -0.729 . . . . 0.0 111.185 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -9.41 -40.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 165.5 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 555' ' ' ALA . 19.0 mm-40 6.45 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.74 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.725 ' N ' ' O ' ' A' ' 556' ' ' ILE . 1.3 tt -130.22 105.84 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.433 ' N ' HD23 ' A' ' 558' ' ' LEU . 42.4 mtmt -76.05 -115.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.563 HG22 ' H ' ' A' ' 561' ' ' ASP . 1.1 m 60.73 -143.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 560' ' ' THR . 30.6 t0 -59.76 92.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -173.52 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.47 -30.56 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 567' ' ' ALA . 67.3 ttt-85 -73.95 -71.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -45.43 -55.35 6.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 55.0 tp -46.34 -49.9 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 564' ' ' ARG . . . -46.11 -55.05 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.525 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 568' ' ' LEU . 12.6 mt -52.17 -44.51 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.19 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.39 -22.48 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -78.39 -69.89 1.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.39 -23.76 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.9 tp -45.33 -60.14 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.32 -177.91 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.599 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 39.1 mtm -114.15 -84.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -174.23 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -46.07 169.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.316 . . . . 0.0 110.595 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.737 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 77.69 32.51 45.74 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 578' ' ' GLY . 25.1 pt-20 34.21 25.03 0.0 OUTLIER 'General case' 0 C--O 1.194 -1.828 0 O-C-N 122.03 -0.688 . . . . 0.0 110.998 172.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.737 ' N ' ' O ' ' A' ' 578' ' ' GLY . 57.8 mt-30 -60.44 -62.15 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 126.033 2.083 . . . . 0.0 110.567 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.69 -39.71 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.528 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -51.0 -40.62 58.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.48 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 10.3 t70 -69.25 -69.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 59.3 t -45.85 -55.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.7 tp -47.06 -38.65 11.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.43 -46.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.549 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.6 m -55.9 -57.75 10.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 75.6 mt -43.01 -40.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 25.1 p -72.6 -31.84 65.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.66 -48.79 58.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 591' ' ' ILE . 1.7 mp -89.99 151.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.282 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -38.37 148.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 7.4 p80 -138.61 75.45 37.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.41 -71.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.908 2.405 . . . . 0.0 111.919 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -94.45 -14.78 24.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.57 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 22.2 m -76.24 -21.37 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.7 t -46.36 -25.45 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.44 -42.43 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 83.2 mt -71.96 -22.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.1 -45.94 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.61 -39.97 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 tp -60.4 -73.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -47.41 -27.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.38 -34.55 32.05 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.1 m -59.35 -49.38 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.581 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 15.9 t -86.31 118.98 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.31 -158.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -78.51 179.93 6.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 12.5 t -162.05 -155.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 81.63 -135.99 15.26 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 5.9 m -79.27 54.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.529 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.783 0 CA-C-O 117.911 -1.494 . . . . 0.0 110.883 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.33 109.54 21.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.629 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -102.01 151.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.699 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -105.68 149.64 26.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.642 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.82 106.87 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.92 139.8 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -119.41 143.2 47.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.442 HD12 ' N ' ' B' ' 8' ' ' LEU . 11.2 mp -57.62 -12.38 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -84.03 13.4 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.8 69.73 1.25 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -169.48 131.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.658 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -108.45 128.28 54.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.463 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.89 129.91 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -106.96 119.26 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.359 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -124.73 141.37 52.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.3 115.38 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.76 170.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.705 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.621 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 26.9 mm-40 -125.4 150.3 67.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.67 -22.34 1.13 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.888 2.392 . . . . 0.0 112.228 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -85.78 -21.54 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.8 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.621 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.9 m-20 -50.98 138.88 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.477 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.5 p -95.57 137.29 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' B' ' 22' ' ' THR . 33.9 mm -39.43 -50.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -51.76 -39.56 58.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.338 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 22' ' ' THR . 7.5 t-20 -62.87 -45.68 91.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.317 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 t -58.73 -44.19 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -57.01 -42.44 80.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.273 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.33 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.76 -42.61 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.47 -36.16 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.431 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -63.52 -41.38 98.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.1 -26.96 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -79.64 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -85.62 -90.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 160.82 14.5 0.03 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.488 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 59.7 mt -85.06 110.25 27.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.709 0.29 . . . . 0.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.488 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.68 137.26 12.16 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.697 2.265 . . . . 0.0 111.922 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.57 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.69 -41.97 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.802 2.335 . . . . 0.0 111.959 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' B' ' 39' ' ' ASP . 1.4 m-20 -69.69 26.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.57 ' H ' ' C ' ' B' ' 38' ' ' PRO . 62.3 mt-30 -155.4 53.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.547 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -148.22 146.24 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.62 HH22 ' CD ' ' A' ' 552' ' ' GLU . 14.1 mtp180 -138.66 99.72 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.5 127.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' B' ' 45' ' ' PHE . 33.7 mt -124.76 153.99 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 52.8 t80 -139.05 170.0 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.29 -27.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.07 -88.89 0.73 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -146.93 -146.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -90.87 139.11 31.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.48 131.13 35.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -96.47 159.11 15.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.14 25.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.34 -62.93 4.55 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -43.16 161.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.423 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 27.9 p -110.53 164.97 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.39 -10.88 27.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.488 ' C ' ' H ' ' B' ' 59' ' ' TYR . 79.4 p -82.28 -32.14 29.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.559 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.84 19.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' B' ' 57' ' ' SER . 72.3 m-85 -141.15 -2.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 t30 67.33 20.86 9.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.39 113.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -89.69 -157.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.71 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -88.63 159.76 17.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 52.47 31.69 10.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.587 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.9 m -92.42 140.04 29.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -82.47 144.43 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.52 112.51 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.48 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 38.1 m80 -66.86 153.21 44.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.305 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 tp -142.47 118.71 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.732 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 t -117.16 152.17 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -115.77 134.04 55.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' B' ' 74' ' ' ARG . 39.2 ttp180 -45.25 169.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.897 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.1 mm? -47.43 92.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' B' ' 72' ' ' ARG . 48.1 ttt-85 -86.8 158.09 19.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.59 -155.4 25.07 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 117.994 -1.448 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.439 ' N ' ' O ' ' C' ' 17' ' ' VAL . 20.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -75.12 112.25 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.09 145.53 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -100.66 130.96 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.8 t -113.13 97.76 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.3 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -82.71 120.65 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.662 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.48 ' O ' ' N ' ' C' ' 9' ' ' THR . 72.6 p -75.75 170.16 16.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.116 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.647 ' C ' HG23 ' C' ' 9' ' ' THR . 9.5 tp -67.76 63.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.235 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.647 HG23 ' C ' ' C' ' 8' ' ' LEU . 1.7 p 64.76 72.39 0.44 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -170.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.01 -43.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' C' ' 12' ' ' THR . 30.4 tttm 179.47 158.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 110.705 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 8.7 m -113.8 104.84 12.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.68 135.36 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.489 ' C ' HD22 ' C' ' 15' ' ' LEU . 6.7 m -104.2 101.47 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 -176.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.678 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.7 mm? -96.12 130.22 43.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -90.8 88.8 7.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.152 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.5 m -113.52 -161.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 18.2 mt-10 -148.2 152.85 40.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.275 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -46.82 13.48 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.899 2.399 . . . . 0.0 112.287 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.472 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.29 -47.26 86.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.879 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 2.0 m-20 -33.65 143.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -96.54 149.05 22.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.91 -55.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.429 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -44.42 -47.99 9.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 19.2 t-20 -56.13 -48.75 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.87 -52.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.228 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -51.5 -31.23 23.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -68.25 -46.31 70.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.41 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.25 -34.88 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.29 -42.12 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.0 -34.4 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.488 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' C' ' 32' ' ' ASP . 21.0 t0 -73.62 -33.07 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -74.07 -64.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -83.63 -100.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.51 10.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -81.27 124.55 80.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.65 0.262 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.06 140.48 31.34 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.6 2.2 . . . . 0.0 112.032 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.613 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.5 -50.56 10.2 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.018 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -57.35 3.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.613 ' H ' ' C ' ' C' ' 38' ' ' PRO . 21.8 mt-30 -139.02 43.44 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -132.91 158.31 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -152.17 97.67 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.573 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -80.62 104.25 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.839 HD12 HG21 ' C' ' 70' ' ' VAL . 23.1 mt -108.3 121.3 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 73.4 t80 -115.64 176.62 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.69 -51.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -88.67 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.464 ' HZ3' ' NH2' ' B' ' 74' ' ' ARG . 38.7 mttm -146.53 -149.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -89.42 141.34 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.48 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.4 mt -88.44 115.47 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -75.42 158.42 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.08 158.26 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.07 -59.36 3.89 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 14.5 mmt180 -48.24 166.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.704 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.1 p -106.78 165.1 11.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.613 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' C' ' 17' ' ' VAL . 81.9 mt -64.34 -19.35 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.505 ' C ' ' H ' ' C' ' 59' ' ' TYR . 92.0 p -75.39 -29.22 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' ASP . . . . . 0.492 ' O ' ' CD2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -73.29 28.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' C' ' 57' ' ' SER . 83.1 m-85 -156.16 5.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m120 58.35 32.69 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.675 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -81.15 91.54 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -77.32 -157.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -81.85 159.62 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 57.8 31.07 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.66 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -83.11 131.79 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.84 102.67 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.88 121.6 37.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -79.5 102.33 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.37 101.35 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.5 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.839 HG21 HD12 ' C' ' 44' ' ' ILE . 2.1 t -104.27 153.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -93.97 156.51 16.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -105.52 -66.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 13.2 mt 49.27 66.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -160.8 -130.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.51 -171.8 14.13 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.762 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.914 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 19.8 m -80.61 -75.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -73.73 117.9 16.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.9 tt -47.79 -24.81 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 487' ' ' SER . 56.6 p -68.0 -60.15 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' SER . . . . . 0.409 ' N ' ' OG ' ' A' ' 486' ' ' SER . 26.8 m -45.89 -33.83 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.81 43.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.72 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.3 mm -62.8 -47.37 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -47.34 -69.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.54 -59.74 7.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 5.0 tp -45.18 -37.28 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.528 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -60.19 -67.03 2.34 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 24.6 pt -63.31 1.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 0.0 110.673 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -82.91 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.608 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 39.9 p90 -81.76 20.09 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -37.53 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.692 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.08 120.51 6.23 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 45.0 p -169.8 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 501' ' ' LYS . 11.8 mptt 48.01 79.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -143.83 157.49 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.15 7.14 22.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 41.0 tt0 -95.81 -55.44 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.351 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.6 t -43.2 -39.13 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 508' ' ' LEU . 9.7 mp -85.08 -47.89 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -47.01 -8.25 0.02 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 506' ' ' LEU . 32.6 mt -123.3 -58.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.54 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.554 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 17.8 tp -63.72 -61.86 6.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.772 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.554 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.04 -53.27 6.53 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.402 2.068 . . . . 0.0 111.465 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.7 mt -47.91 -36.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.289 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.69 -33.66 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.295 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.65 ' HB1' HD12 ' B' ' 73' ' ' LEU . . . -168.33 78.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.572 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 511' ' ' PRO . 59.8 p -93.01 35.27 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.412 . . . . 0.0 110.089 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.1 OUTLIER 66.73 7.13 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.259 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' O ' ' A' ' 518' ' ' LEU . 3.5 m-20 -159.47 -152.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.456 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.532 ' O ' ' O ' ' A' ' 519' ' ' PRO . 28.2 mt 59.01 143.78 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.686 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.532 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -47.12 -167.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.857 2.371 . . . . 0.0 112.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.541 ' CG2' ' HB1' ' A' ' 555' ' ' ALA . 17.3 pt -133.09 35.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.618 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -92.79 -80.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 t -71.43 -29.59 65.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 526' ' ' ALA . . . -46.75 -51.82 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.42 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.522 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.4 mmt -50.03 -38.05 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.544 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 523' ' ' ALA . . . -59.06 -42.41 90.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.534 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.9 t -59.97 -30.91 69.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.48 -24.03 60.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.33 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.55 -33.98 70.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.533 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.32 -60.63 2.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -50.8 -44.6 58.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 535' ' ' VAL . 76.6 t -67.75 -70.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.577 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.39 25.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -46.14 -27.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -91.04 -102.39 1.26 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.61 110.44 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.63 -158.85 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -158.85 177.23 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 544' ' ' THR . . . -80.78 -49.99 5.45 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -44.05 -62.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 73.4 mt -48.19 -44.97 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 546' ' ' ILE . 92.7 m -67.34 -75.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 543' ' ' THR . 73.2 p -20.93 -56.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 543' ' ' THR . 26.9 p -60.58 -53.25 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -58.2 -54.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.173 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.55 ' N ' HG22 ' A' ' 546' ' ' ILE . 11.7 tpt -52.69 -37.16 58.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.402 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.7 OUTLIER -64.59 -51.79 60.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.4 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -48.67 -36.6 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.293 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -66.89 -58.76 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.524 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.9 mp -72.26 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.706 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 553' ' ' ARG . 27.9 tp10 -39.78 -42.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 552' ' ' GLU . 6.9 mmm-85 30.07 92.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.838 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -163.84 -27.01 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.034 0 CA-C-O 124.793 2.235 . . . . 0.0 115.652 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.613 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.25 1.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 111.652 -2.522 . . . . 0.0 109.016 171.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.838 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.8 OUTLIER -46.21 -4.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.401 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.616 ' C ' ' O ' ' A' ' 556' ' ' ILE . 4.8 mp0 -20.41 -46.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.731 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.648 ' N ' ' O ' ' A' ' 556' ' ' ILE . 68.2 mt -114.99 -148.92 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.476 ' O ' ' OG1' ' A' ' 560' ' ' THR . 84.4 mttt -157.05 -96.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.703 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 52.47 -100.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.53 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.437 ' H ' ' HG1' ' A' ' 560' ' ' THR . 4.2 p30 -171.19 143.57 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -179.15 -11.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.24 -33.78 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.52 -71.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -50.13 -37.57 34.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.76 -39.22 87.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -61.04 -56.2 23.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.0 mt -47.22 -54.27 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.36 -64.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 48.9 tp -45.1 -24.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -83.19 -77.72 1.09 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.4 tt -52.01 -13.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.2 tp -44.74 -70.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -70.11 -156.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 3.1 ptm -157.71 -0.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 82.92 133.48 2.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -162.39 -37.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.314 . . . . 0.0 110.54 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.738 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . -166.66 91.23 0.1 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.309 1.684 . . . . 0.0 117.309 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 578' ' ' GLY . 34.7 mt-10 26.89 30.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.188 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 578' ' ' GLY . 44.4 tt0 -58.76 -45.57 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.86 -38.96 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.8 OUTLIER -53.38 -49.37 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.571 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.584 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 37.8 t70 -63.27 -67.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 84.4 t -41.86 -53.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 37.0 tp -51.27 -35.84 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 583' ' ' ASP . 7.2 tt0 -59.63 -35.86 75.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.464 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.9 m -71.37 -51.61 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -46.83 -27.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 m -92.38 -19.01 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.33 -18.91 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 592' ' ' GLU . 3.8 tp -97.94 152.32 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 591' ' ' ILE . 7.6 mm-40 -60.23 -140.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.531 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 10.4 m170 50.03 48.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.36 -15.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.012 2.474 . . . . 0.0 111.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 593' ' ' HIS . 11.4 mmt -59.05 -9.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 11.4 t -79.08 -3.77 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 67.5 m -45.66 -46.32 14.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.83 -40.87 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 15.6 mt -78.58 -28.54 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.22 -39.48 92.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.46 -37.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -60.91 -66.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.09 -37.44 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.61 -31.27 77.21 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 26.6 t -78.48 -58.14 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 39.3 t -79.91 119.5 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -178.68 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -89.87 -163.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.3 t -161.55 164.89 29.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -176.26 -131.45 1.47 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 50.2 p -66.0 -92.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.737 0.303 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 118.056 -1.414 . . . . 0.0 110.93 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -92.8 111.3 22.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -104.12 151.42 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.22 143.13 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 92.1 t -123.21 102.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -85.54 139.61 31.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.525 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.9 p -113.9 155.01 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 8' ' ' LEU . 22.9 mt -65.9 7.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.525 ' H ' ' C ' ' B' ' 7' ' ' THR . 70.0 p -101.93 -5.51 24.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 4.33 68.66 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -97.97 134.16 41.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -114.4 132.55 56.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.487 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 13' ' ' ILE . 4.2 mt -117.76 131.36 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -106.53 123.86 48.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.431 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -130.36 146.16 51.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.87 0.367 . . . . 0.0 110.79 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.87 125.06 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.44 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -147.05 167.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.771 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.652 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.3 mt-10 -125.11 148.67 61.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.355 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.62 -19.46 0.46 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.816 2.344 . . . . 0.0 112.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.3 9.19 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.75 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.652 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.7 m-20 -91.18 142.97 27.17 Favored 'General case' 0 N--CA 1.505 2.282 1 N-CA-C 97.492 -5.003 . . . . 0.0 97.492 -163.182 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 33.3 p -92.42 142.19 27.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 33.7 mm -45.27 -46.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -53.4 -40.27 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -61.98 -46.72 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.179 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.45 -51.0 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.256 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -52.09 -36.16 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.207 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.06 91.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -61.15 -35.8 78.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.372 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -70.67 -34.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.487 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -67.31 -32.8 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -78.76 -23.21 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -83.97 -58.31 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -89.06 -86.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 5.52 0.05 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.458 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 58.3 mt -78.59 132.26 65.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.301 . . . . 0.0 110.483 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.37 139.69 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.688 2.259 . . . . 0.0 111.864 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.57 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.56 -47.93 14.69 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.774 2.316 . . . . 0.0 112.058 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 3.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.57 ' H ' ' C ' ' B' ' 38' ' ' PRO . 16.6 mm100 -139.69 62.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -155.84 137.78 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 ttp-105 -127.0 105.55 8.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.399 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.44 127.46 43.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -128.15 146.33 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.426 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 71.1 t80 -132.24 177.35 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.36 -37.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.23 -90.72 0.16 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -147.66 -144.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -89.65 133.86 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.56 135.21 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -99.38 159.23 15.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.97 147.44 51.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 98.62 -65.63 0.73 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.2 mmm180 -41.05 166.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.761 0.315 . . . . 0.0 110.684 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.2 p -110.04 171.13 7.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.05 -23.21 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -76.14 -20.3 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -80.61 9.19 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -138.13 15.24 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m120 55.02 25.9 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.702 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -76.56 97.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.47 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -78.74 -157.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -84.81 157.47 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.09 31.49 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -88.34 132.83 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.08 127.3 35.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.97 120.78 40.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.584 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 46.5 m80 -72.93 139.09 46.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.484 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.728 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.4 tt -121.74 127.33 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.457 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.728 ' N ' HD23 ' B' ' 69' ' ' LEU . 18.9 t -130.41 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.516 ' CD1' HD21 ' B' ' 69' ' ' LEU . 3.5 mp -124.84 153.6 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 71' ' ' LEU . 36.3 mtp180 -47.16 177.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.503 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.702 HD22 ' N ' ' B' ' 73' ' ' LEU . 3.6 mm? -50.38 103.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.484 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.508 ' CZ ' HG21 ' A' ' 544' ' ' THR . 68.6 mtt180 -70.25 114.06 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.65 39.45 3.12 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.059 -1.412 . . . . 0.0 110.934 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.475 ' N ' ' O ' ' C' ' 17' ' ' VAL . 23.5 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -95.02 113.17 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -114.52 144.91 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -96.5 146.71 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' C' ' 13' ' ' ILE . 79.2 t -128.58 94.41 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 83.1 mttt -81.92 120.84 25.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.53 ' OG1' ' CA ' ' C' ' 10' ' ' GLY . 64.4 p -77.55 148.47 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.551 ' O ' HG23 ' C' ' 9' ' ' THR . 1.1 mt -32.73 -49.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.447 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.551 HG23 ' O ' ' C' ' 8' ' ' LEU . 24.2 p -158.59 34.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.386 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLY . . . . . 0.53 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -112.26 -109.19 3.0 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.498 ' N ' ' OG1' ' C' ' 7' ' ' THR . 23.3 mtpt -123.56 171.6 9.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 0.0 110.914 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.424 HG23 ' CG ' ' C' ' 6' ' ' LYS . 19.7 m -108.87 86.52 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -72.62 141.77 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.513 ' C ' HD22 ' C' ' 15' ' ' LEU . 28.2 m -114.9 109.26 17.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.699 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.6 mm? -97.96 133.48 42.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -91.44 88.51 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.219 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.602 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.1 m -111.88 -162.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.04 177.6 2.0 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.993 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.14 -25.54 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.775 2.317 . . . . 0.0 112.328 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -0.89 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.21 141.82 45.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.675 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -90.33 147.23 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.7 mm -49.58 -46.34 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -51.89 -46.84 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.38 -38.98 81.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.96 -52.17 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -51.73 -41.47 61.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.358 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.339 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -55.63 -36.91 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.78 -45.61 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.331 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -55.93 -40.51 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.47 78.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.373 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -71.16 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -84.86 -88.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.414 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 167.26 5.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.414 ' H ' ' H ' ' C' ' 35' ' ' GLY . 61.3 mt -80.38 130.63 64.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.0 110.515 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.56 143.26 34.02 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.619 2.213 . . . . 0.0 111.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.21 -63.83 0.3 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.856 2.37 . . . . 0.0 112.005 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -40.75 -21.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.653 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' C' ' 38' ' ' PRO . 29.3 mt-30 -113.8 56.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -151.32 134.72 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -128.75 100.63 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.451 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -81.79 110.8 17.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.598 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.758 HD12 HG21 ' C' ' 70' ' ' VAL . 16.4 mt -109.88 133.97 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -138.69 133.08 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.13 34.71 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.45 49.23 39.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -157.92 120.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.34 129.15 37.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.56 125.93 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -69.14 158.22 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.08 103.66 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.522 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.1 -56.53 0.47 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.422 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 32.7 mmt-85 -49.46 175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.532 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.454 ' C ' ' H ' ' C' ' 57' ' ' SER . 31.0 p -115.87 161.59 18.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.602 ' CD1' HG21 ' C' ' 17' ' ' VAL . 68.8 mt -65.84 3.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.454 ' H ' ' C ' ' C' ' 55' ' ' THR . 6.5 t -96.38 -26.42 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.83 -39.77 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.02 10.34 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 54.73 29.22 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.44 98.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -82.58 -165.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -74.25 158.97 33.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 59.68 30.29 19.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.739 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -84.84 129.93 34.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.6 m -88.1 115.12 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.712 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.05 118.17 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -79.56 102.92 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.556 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.27 102.19 11.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.758 HG21 HD12 ' C' ' 44' ' ' ILE . 3.0 t -102.19 140.51 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.629 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.13 161.25 17.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -87.16 -79.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 tp 54.91 93.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.48 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -139.62 53.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.456 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.83 66.92 0.06 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.933 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 26.9 p -63.8 -165.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -168.23 7.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 485' ' ' ILE . 8.9 mm -47.93 -33.35 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.52 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 22.8 p -53.65 -43.92 69.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 30.4 t -54.53 -51.81 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -69.13 -19.5 64.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -68.48 -60.95 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.35 -35.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.549 ' C ' HD23 ' A' ' 491' ' ' LEU . 2.7 tt -54.27 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.13 -63.02 4.92 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.54 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 4.3 tp -43.67 -43.33 5.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.629 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.49 -49.34 65.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.5 pt -86.8 7.79 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.76 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -86.28 -56.87 3.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.54 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 43.2 p90 -87.92 21.55 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.32 -62.59 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -97.77 66.92 0.8 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 97.0 p -172.33 98.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.541 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -85.61 57.45 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 504' ' ' GLU . 21.8 m120 -72.91 124.29 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.18 -3.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 502' ' ' ASN . 47.8 mt-10 -88.87 -56.76 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 41.6 t -41.86 -34.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.374 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' A' ' 508' ' ' LEU . 9.0 tp -81.45 -51.23 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.478 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -57.06 2.29 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.573 ' H ' ' C ' ' A' ' 506' ' ' LEU . 69.1 mt -121.23 -52.02 2.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.08 -42.06 89.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.5 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 11.5 tp -56.99 -62.37 5.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.774 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.59 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -45.79 -50.37 9.68 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.534 2.156 . . . . 0.0 111.753 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.414 HG12 HD21 ' C' ' 8' ' ' LEU . 77.5 mt -57.51 -23.1 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -79.69 -33.61 40.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -155.69 56.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.2 OUTLIER -68.47 -10.2 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 515' ' ' SER . 0.2 OUTLIER 80.45 54.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.742 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.464 ' OD1' ' OG ' ' A' ' 515' ' ' SER . 0.4 OUTLIER 173.85 -82.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 518' ' ' LEU . 1.2 pt? -41.78 165.86 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.628 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.98 145.28 28.04 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.869 2.379 . . . . 0.0 111.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 555' ' ' ALA . 17.2 pt -91.01 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.597 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -74.4 -38.16 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -17.93 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.41 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.32 76.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' MET . . . . . 0.534 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.5 mpt? -68.45 -47.72 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.04 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 61.8 p -48.68 -34.03 11.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -67.65 -66.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.504 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.97 -51.57 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.54 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.3 tt -44.59 -51.34 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.21 -34.37 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -51.94 -40.94 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 95.0 t -77.62 -48.7 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.549 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 537' ' ' THR . 30.9 m-85 -78.79 16.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 536' ' ' GLY . 11.4 p -49.09 -40.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.498 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -71.47 -81.77 0.29 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 10.1 t -72.15 -168.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.425 ' N ' ' OG1' ' A' ' 537' ' ' THR . 22.9 p -160.21 -178.59 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -154.62 173.24 16.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 544' ' ' THR . . . -89.81 -52.49 2.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.67 -33.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 543' ' ' THR . 79.8 mt -72.94 -81.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 542' ' ' ILE . 18.2 m -38.75 -44.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 540' ' ' GLY . 40.6 p -52.15 -58.03 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.6 p -59.45 -54.8 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.243 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -35.07 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.144 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.3 tpt -77.89 -37.82 47.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.297 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' B' ' 72' ' ' ARG . 62.0 m-20 -50.7 -28.61 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.194 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.63 ' O ' ' N ' ' A' ' 553' ' ' ARG . 17.1 m-20 -87.35 -58.12 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.471 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -43.58 -19.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 549' ' ' ASN . 27.7 mt -98.76 -81.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.481 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 554' ' ' THR . 5.2 mt-10 -64.05 -7.47 8.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.72 ' O ' ' C ' ' A' ' 554' ' ' THR . 17.6 mmt180 53.95 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.734 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.4 OUTLIER 35.54 -121.11 0.13 Allowed 'General case' 0 CA--C 1.555 1.143 1 N-CA-C 98.313 -4.699 . . . . 0.0 98.313 -179.547 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.716 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 5.5 63.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.651 -167.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.734 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -115.13 11.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.609 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -71.63 18.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 556' ' ' ILE . 1.1 pt? -69.92 -176.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -147.77 1.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 1.8 t -161.58 178.78 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.441 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.1 m-20 -51.13 159.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -174.78 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -52.37 -22.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -61.86 -71.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -56.52 -45.41 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 23.7 tp -46.64 -43.07 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.451 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.61 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 38.8 tp -45.78 -38.76 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -64.71 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.41 -17.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -86.23 -77.82 1.22 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.419 ' HA ' HD12 ' A' ' 572' ' ' ILE . 10.2 tp -50.91 -23.24 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.54 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -40.13 -61.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.674 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -83.88 117.42 23.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -46.6 164.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -51.57 144.12 16.31 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 576' ' ' GLY . 44.1 tt0 59.76 127.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.572 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 155.39 104.17 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.21 -10.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.485 ' H ' ' C ' ' A' ' 578' ' ' GLY . 3.5 tp-100 -47.43 -35.37 8.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.05 -40.88 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.07 -31.62 69.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.546 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 40.9 t0 -72.45 -73.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.619 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 34.4 t -43.11 -46.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.65 -38.31 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -57.96 -48.37 80.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 5.0 m -52.85 -56.44 15.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -44.87 -35.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 58.2 p -85.66 -19.37 31.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.542 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.06 -36.11 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.4 tt -89.31 163.65 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -61.83 -137.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 50.3 m80 49.71 73.63 0.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 -24.12 12.21 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.002 2.468 . . . . 0.0 111.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.422 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.8 tpt -49.33 -38.62 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 43.6 p -60.78 -4.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.3 t -44.44 -30.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.53 90.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 17.8 mt -77.05 -36.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.554 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.12 -37.1 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -78.89 -47.28 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.92 -54.53 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.0 -57.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.98 -26.89 2.23 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -78.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.557 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 23.9 p -82.93 126.99 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -175.23 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -80.42 110.73 16.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 30.9 p -62.03 -175.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -56.49 -171.53 0.14 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 17.1 m -75.94 -29.23 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.527 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.715 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.934 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.523 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -125.53 109.22 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.436 HD12 HD22 ' B' ' 67' ' ' LEU . 19.3 pt -104.46 159.16 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.746 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -116.1 159.02 22.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.491 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.4 t -136.21 109.59 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -90.85 127.85 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -105.13 146.14 29.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.58 -6.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -90.37 24.36 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.67 76.02 0.22 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -173.76 156.45 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -135.46 131.49 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.493 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -114.06 127.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.7 m -101.84 118.76 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -126.55 148.05 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.723 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' B' ' 16' ' ' GLU . 23.9 mp0 -92.28 124.35 36.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.9 m -147.5 169.68 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.641 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 20.8 mt-10 -124.92 152.54 70.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.252 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.47 ' O ' ' OG ' ' B' ' 57' ' ' SER . 2.9 Cg_endo -44.99 -31.36 5.38 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.079 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -28.57 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.641 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.4 m-20 -45.22 135.62 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.73 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 7.4 p -92.62 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.503 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -42.83 -46.32 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -53.93 -42.17 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 12.0 t-20 -61.13 -47.15 87.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.26 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.36 -53.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.265 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' B' ' 41' ' ' GLN . 50.2 mttm -50.58 -35.48 30.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.24 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -63.98 -45.7 87.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.222 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -34.23 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.61 -35.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.465 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -71.46 -31.16 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -76.57 -64.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.5 -88.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.04 4.69 0.04 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 47.3 mt -80.07 134.49 56.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 0.0 110.513 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.96 144.24 34.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.647 2.231 . . . . 0.0 111.983 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.62 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.47 -50.96 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.865 2.377 . . . . 0.0 112.041 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 22.0 m-20 -65.63 28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.62 ' H ' ' C ' ' B' ' 38' ' ' PRO . 51.2 mt-30 -158.01 49.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.508 ' O ' ' NZ ' ' B' ' 27' ' ' LYS . 72.8 mt-30 -147.14 137.18 23.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -122.85 104.65 9.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.459 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 mt -100.34 131.64 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.549 HG22 ' N ' ' B' ' 45' ' ' PHE . 82.6 mt -132.68 161.7 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.462 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 63.4 t80 -154.14 175.25 13.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.624 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.81 -38.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.92 -90.95 0.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -149.28 -142.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -94.3 138.72 31.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.414 ' N ' HD23 ' B' ' 50' ' ' LEU . 7.8 mt -87.09 109.31 19.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.621 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.84 158.7 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.527 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.62 146.62 54.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 97.27 -67.51 0.84 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' B' ' 53' ' ' GLY . 18.6 mmt180 -41.34 165.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.635 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 29.8 p -109.95 164.51 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 56' ' ' LEU . 92.0 mt -60.27 -28.08 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.7 m -69.78 -39.42 76.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.6 -39.3 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -90.61 11.67 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 m120 55.5 28.11 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.5 mt -72.74 114.14 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -86.17 -161.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -87.62 160.54 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.718 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 55.93 30.56 16.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -82.77 129.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -88.07 92.02 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.685 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.436 HD22 HD12 ' B' ' 3' ' ' ILE . 7.7 mp -73.51 170.56 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.438 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.546 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 61.7 m80 -129.01 110.25 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.301 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -93.07 146.77 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.775 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.8 t -148.57 144.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.78 144.73 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.436 ' C ' ' OD2' ' A' ' 548' ' ' ASP . 24.6 ptt85 -61.14 -169.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.904 HD22 ' H ' ' B' ' 73' ' ' LEU . 2.2 mm? -63.15 153.58 33.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -150.05 -131.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.2 82.59 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.936 -1.48 . . . . 0.0 110.958 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ttp . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.5 111.87 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.39 148.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -101.92 150.72 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' C' ' 13' ' ' ILE . 85.3 t -131.23 91.47 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LYS . . . . . 0.407 ' CG ' HG23 ' C' ' 12' ' ' THR . 73.6 mttt -76.51 115.86 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.729 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.806 HG23 ' O ' ' C' ' 11' ' ' LYS . 69.6 p -72.86 142.11 47.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.181 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.631 ' O ' HG23 ' C' ' 9' ' ' THR . 16.4 tp -37.02 -48.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.472 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.631 HG23 ' O ' ' C' ' 8' ' ' LEU . 19.4 p -160.69 71.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.387 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.4 -81.21 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.806 ' O ' HG23 ' C' ' 7' ' ' THR . 18.6 tttp -153.59 165.08 37.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.701 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.74 ' N ' ' HG2' ' C' ' 11' ' ' LYS . 14.0 m -104.24 96.36 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' C' ' 5' ' ' VAL . 1.4 mt -78.26 148.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -123.71 128.22 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.278 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -128.9 139.24 52.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.891 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.65 96.92 10.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.307 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' C' ' 56' ' ' LEU . 11.0 m -113.09 -166.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -131.97 173.83 5.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.74 -20.61 15.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.795 2.33 . . . . 0.0 112.343 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -93.61 -11.81 30.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.786 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.64 137.44 56.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.432 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 2.7 p -86.86 156.06 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -57.03 -51.25 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -52.25 -38.75 59.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.432 ' OD1' ' OG1' ' C' ' 22' ' ' THR . 3.9 m-20 -63.46 -41.94 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.19 -48.12 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.154 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -53.21 -42.57 66.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.123 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.86 95.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.239 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -58.04 -37.17 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 mt -67.69 -42.67 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.408 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.55 -33.85 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.3 -30.53 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -74.64 -60.53 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -90.8 -106.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.53 11.58 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 67.2 mt -83.27 128.69 63.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.635 0.255 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.2 143.35 35.46 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.59 2.193 . . . . 0.0 111.869 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.603 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -47.17 15.38 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.815 2.343 . . . . 0.0 112.009 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.89 28.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.674 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' C' ' 38' ' ' PRO . 62.1 mt-30 -156.46 44.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.512 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -145.32 158.03 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -149.37 99.8 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.56 107.01 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.603 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.966 HD12 HG21 ' C' ' 70' ' ' VAL . 48.4 mt -107.49 141.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.417 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -152.05 128.0 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.66 28.37 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.38 24.47 63.2 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -130.32 117.42 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 110.579 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -80.6 135.1 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.98 130.65 35.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -84.72 157.73 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.04 100.45 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 150.11 -64.92 0.39 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.6 mmt-85 -43.62 170.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 57' ' ' SER . 53.5 p -115.58 162.71 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' C' ' 17' ' ' VAL . 75.8 mt -64.27 3.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.97 -38.2 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -62.04 -39.02 90.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -82.3 6.01 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 54.9 36.06 25.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 59.7 mt -80.87 99.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -77.17 -157.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.774 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -87.31 162.18 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 55.39 33.26 20.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.663 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -84.94 167.89 15.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.418 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -123.05 106.87 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.616 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.55 118.63 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.523 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -78.4 97.67 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.73 108.97 13.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.966 HG21 HD12 ' C' ' 44' ' ' ILE . 2.0 t -111.77 141.95 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.591 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -89.41 161.76 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -145.94 152.24 39.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.54 -165.43 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.541 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 64.26 109.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.637 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.48 -80.79 0.13 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.688 0 CA-C-O 118.001 -1.444 . . . . 0.0 110.905 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 54.0 p -50.56 -26.9 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -83.32 56.56 3.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.7 mt -61.89 -30.18 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 19.8 t -49.81 -40.23 41.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.5 p -57.56 -50.21 73.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.89 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -53.85 -68.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.1 mm -54.22 -30.9 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.485 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.7 tt -60.37 -62.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.501 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.47 -59.64 6.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.5 mp -58.68 -27.43 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.66 -61.3 7.64 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.77 -22.5 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.614 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.38 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 34.9 m-85 -47.62 -42.85 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.505 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 12.46 36.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.5 t -145.97 -70.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.8 tttp 48.6 67.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.668 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -131.54 170.54 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.42 -4.65 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.54 -39.44 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.111 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 26.7 t -49.28 -63.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.24 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.538 ' CD2' HD21 ' A' ' 530' ' ' LEU . 14.1 mt -61.01 -41.65 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.457 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -38.75 -35.78 0.39 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 507' ' ' GLY . 10.4 mp -109.7 -40.6 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.828 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 509' ' ' LEU . 2.0 tt -62.21 -51.53 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.584 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.2 tp -44.33 -65.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.891 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.584 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.23 -61.15 0.65 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.321 2.014 . . . . 0.0 111.728 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.767 HD11 ' OG1' ' C' ' 9' ' ' THR . 88.7 mt -42.23 -20.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -92.65 -39.61 11.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -166.35 70.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.739 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.499 ' C ' ' OG1' ' A' ' 516' ' ' THR . 2.3 m -65.17 -41.53 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.349 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.499 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.0 OUTLIER 175.24 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.481 ' CG ' ' NH1' ' C' ' 72' ' ' ARG . 18.6 t0 -165.53 72.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.1 mt -128.28 152.32 77.79 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.99 161.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.812 2.342 . . . . 0.0 111.974 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 558' ' ' LEU . 3.0 mt -101.97 -4.88 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.55 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -39.13 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.57 -53.62 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -42.77 -67.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.0 mmt -44.31 -49.28 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.98 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.6 p -47.49 -22.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -73.54 -68.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.01 -26.69 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 530' ' ' LEU . 3.3 tt -65.97 -59.35 3.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.8 -45.91 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.35 -54.85 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.2 t -65.96 -60.75 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.522 ' CE2' HD11 ' A' ' 506' ' ' LEU . 59.5 m-85 -75.9 27.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.475 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -62.9 -32.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.628 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.08 -70.97 1.28 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 537' ' ' THR . 0.0 OUTLIER -89.2 117.61 28.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.589 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.437 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 20.1 p -88.06 -170.85 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 82.6 m-20 -158.32 -179.66 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 544' ' ' THR . . . -93.49 -57.12 1.38 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.47 -26.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.587 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.427 ' C ' ' N ' ' A' ' 544' ' ' THR . 54.0 mt -80.8 -71.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.7 m -47.72 -17.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 540' ' ' GLY . 39.2 p -84.94 -49.58 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 77.3 p -66.25 -45.51 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.207 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 547' ' ' MET . 1.5 mt -59.66 -53.58 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.464 ' N ' HG22 ' A' ' 546' ' ' ILE . 89.4 mmm -59.48 -37.79 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.276 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.9 OUTLIER -64.79 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.264 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -66.65 -45.27 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.257 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.65 -59.39 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.497 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 551' ' ' LEU . 9.5 mp -62.75 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.608 ' HG3' ' OG1' ' A' ' 554' ' ' THR . 9.5 tp10 -42.07 -65.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.402 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 556' ' ' ILE . 4.1 tpp180 80.41 -40.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.046 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.747 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.3 m -21.07 -40.78 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.652 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -46.39 -5.21 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.747 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.4 OUTLIER -32.88 -24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.138 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.657 ' C ' ' O ' ' A' ' 556' ' ' ILE . 57.4 mm-40 -9.39 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.699 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 556' ' ' ILE . 86.8 mt -121.91 170.69 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.323 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -158.19 18.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.766 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 21.5 p -89.25 99.18 12.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 55.64 101.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.437 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 15.1 p-90 -162.09 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.2 p -46.08 -19.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 562' ' ' TRP . 70.8 mtp85 -72.54 -75.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -53.07 -31.54 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.54 -70.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.77 9.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.68 -56.19 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -46.64 -62.15 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 55.2 tp -44.09 -24.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.548 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.17 -67.97 1.54 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 18.9 pt -63.06 -9.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.4 tp -48.74 -26.53 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -138.0 96.15 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 64.7 mtp -88.85 41.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . 168.09 177.94 39.63 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 577' ' ' GLN . 2.0 mp0 48.51 99.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -80.78 -19.97 66.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -54.57 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.528 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -45.78 -53.98 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.84 -48.9 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -44.52 -40.09 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.474 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.47 -54.89 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 23.0 t -45.21 -58.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.8 mt -48.01 -35.3 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -57.35 -37.06 72.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.3 m -73.97 -43.58 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.358 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ILE . . . . . 0.415 HG13 ' H ' ' A' ' 588' ' ' ILE . 10.8 mt -59.23 -36.36 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 47.4 m -69.46 -43.27 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.36 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 592' ' ' GLU . 19.6 tt -79.53 159.23 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 591' ' ' ILE . 37.2 mt-10 -46.28 174.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.443 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.6 m80 -135.67 53.58 8.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.72 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.74 -82.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.913 2.409 . . . . 0.0 111.868 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 597' ' ' SER . 32.5 ttm -106.23 -35.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 t -44.24 -24.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 595' ' ' MET . 36.7 t -41.2 -39.23 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.33 -64.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 74.2 mt -41.96 -48.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.555 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -46.85 -50.25 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.29 -51.45 48.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 602' ' ' LEU . 3.9 mm? -55.71 -69.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.9 t -47.12 -33.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.48 -44.9 96.33 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 5.2 t -61.05 -37.05 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.41 -169.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 48.03 -160.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -66.98 119.5 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 30.0 p -60.79 -36.67 79.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -87.61 -144.53 9.23 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 50.1 p 46.25 78.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.793 0 CA-C-O 117.968 -1.462 . . . . 0.0 110.932 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -84.06 116.13 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -113.26 147.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.481 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.03 136.39 44.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.02 107.77 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.162 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -90.71 129.42 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.485 ' C ' ' H ' ' B' ' 9' ' ' THR . 4.7 p -109.71 146.08 35.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 8' ' ' LEU . 72.3 mt -48.8 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.485 ' H ' ' C ' ' B' ' 7' ' ' THR . 4.5 p -81.33 3.08 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -3.23 59.17 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.04 139.33 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -112.57 158.93 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -139.49 136.64 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.756 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -101.31 130.77 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.98 130.22 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.796 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -89.02 99.11 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.501 HG21 ' CD1' ' B' ' 56' ' ' LEU . 18.1 m -126.52 -166.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.756 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.496 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 2.0 mm-40 -136.98 178.51 1.69 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.169 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.83 -27.19 10.58 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.744 2.296 . . . . 0.0 112.188 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.05 0.46 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.4 m-20 -72.93 137.62 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.533 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -87.49 141.49 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mm -46.18 -51.63 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -49.06 -41.85 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.299 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.71 -42.4 97.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.239 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.42 -51.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.249 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -49.72 -40.62 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.222 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -58.93 -36.94 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.95 -46.83 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.318 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -54.5 -33.22 59.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 32' ' ' ASP . 51.6 t0 -75.49 -33.26 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -71.73 -60.23 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -92.62 -87.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 167.48 3.75 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.446 ' H ' ' H ' ' B' ' 35' ' ' GLY . 63.6 mt -73.02 129.3 86.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.633 0.254 . . . . 0.0 110.522 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.92 141.75 30.53 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.655 2.237 . . . . 0.0 111.956 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.01 -65.41 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.852 2.368 . . . . 0.0 112.068 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.5 m-20 -37.87 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' B' ' 38' ' ' PRO . 25.0 mt-30 -105.61 60.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -153.45 134.27 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.696 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.505 HH21 HG11 ' B' ' 70' ' ' VAL . 6.9 mtm180 -128.78 103.76 7.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.24 123.47 37.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.3 mt -121.21 145.27 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.615 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 79.2 t80 -154.77 177.71 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.615 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -46.54 -14.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -104.29 26.76 21.86 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 45' ' ' PHE . 39.2 tttt 69.22 -150.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.307 . . . . 0.0 110.623 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -76.15 128.14 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.49 126.72 33.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -90.0 158.43 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.67 163.13 28.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.22 -56.92 4.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 15.4 mmt180 -45.92 173.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -121.91 160.36 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.501 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.1 mt -61.85 -10.08 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.4 p -86.67 -35.68 19.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -59.12 -41.58 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.41 4.68 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 60.95 23.76 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -67.91 99.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -78.9 -157.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -83.92 161.16 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 55.75 34.11 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.3 m -88.45 131.82 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -93.89 105.33 17.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.512 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -91.61 127.31 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -83.19 97.93 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.607 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -85.3 150.33 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.696 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.505 HG11 HH21 ' B' ' 42' ' ' ARG . 42.1 t -144.1 153.87 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.437 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.1 mp -105.25 167.74 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.645 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' B' ' 73' ' ' LEU . 28.6 ttp180 -63.22 168.26 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.436 HD12 ' C ' ' B' ' 73' ' ' LEU . 1.3 tp -71.17 46.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' B' ' 72' ' ' ARG . 25.2 ptt180 -68.93 -173.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.93 80.07 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.011 -1.439 . . . . 0.0 110.934 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -86.36 108.95 18.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 10.5 pt -113.08 150.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.08 142.68 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' C' ' 13' ' ' ILE . 93.8 t -125.27 94.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.287 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -76.87 120.6 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.763 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.606 HG23 ' O ' ' C' ' 11' ' ' LYS . 67.1 p -67.81 144.68 55.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' C' ' 7' ' ' THR . 0.8 OUTLIER -28.56 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.595 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.767 ' OG1' HD11 ' A' ' 512' ' ' ILE . 0.2 OUTLIER -172.96 64.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.405 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.27 -101.41 0.22 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.606 ' CG ' ' N ' ' C' ' 12' ' ' THR . 15.0 tttt -118.1 166.38 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.606 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.3 m -110.94 108.38 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.45 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' C' ' 5' ' ' VAL . 5.5 mt -86.98 141.52 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -114.22 124.23 51.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.329 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -120.0 134.41 55.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -88.12 73.67 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.4 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' C' ' 56' ' ' LEU . 6.5 m -91.05 -168.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.576 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.6 mt-10 -143.62 146.9 37.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.19 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.55 -28.04 3.96 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.853 2.369 . . . . 0.0 112.39 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.3 22.06 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.887 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.576 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 11.3 m-20 -95.88 134.84 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.553 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -81.83 137.64 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 33.2 mm -45.12 -51.23 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.319 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -48.82 -42.58 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.82 -42.45 97.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.88 -46.13 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.141 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -55.32 -39.82 70.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.253 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.96 85.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.261 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -56.07 -43.89 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.283 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.93 -32.71 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.399 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.57 -31.72 72.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.436 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -79.27 -21.34 46.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -85.76 -58.33 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -93.86 -93.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 24.75 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 45.1 mt -93.3 103.91 10.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.632 0.253 . . . . 0.0 110.493 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -44.7 137.58 8.72 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.664 2.243 . . . . 0.0 111.919 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.0 -41.98 20.76 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.881 2.387 . . . . 0.0 112.08 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.79 26.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.712 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.4 mt-30 -152.28 50.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -149.38 148.25 29.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -142.21 96.96 3.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.431 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.99 108.88 10.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.716 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.919 HD12 HG21 ' C' ' 70' ' ' VAL . 52.4 mt -103.03 124.05 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.383 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 57.2 t80 -127.01 -106.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -61.47 72.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.25 29.46 0.65 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -155.4 156.27 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.585 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -91.28 141.87 28.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.6 115.97 21.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.552 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -68.92 157.7 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -73.03 160.96 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.18 -66.66 3.48 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt85 -42.49 168.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.1 p -112.3 167.76 10.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.54 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.455 ' CD1' HG21 ' C' ' 17' ' ' VAL . 62.8 mt -64.17 -25.7 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.487 ' C ' ' H ' ' C' ' 59' ' ' TYR . 67.4 p -67.32 -29.69 69.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.577 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -73.97 21.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' C' ' 57' ' ' SER . 88.4 m-85 -148.79 9.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 55.81 28.84 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -75.92 96.14 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.36 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.32 -157.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -87.06 160.25 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 57.35 34.01 24.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 29.0 m -86.45 169.53 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.424 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -124.85 119.81 29.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mt -111.33 118.34 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -79.98 95.26 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.25 112.99 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.919 HG21 HD12 ' C' ' 44' ' ' ILE . 6.5 t -110.81 127.27 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' C' ' 72' ' ' ARG . 23.5 mt -67.21 164.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' A' ' 517' ' ' ASP . 47.9 ttt-85 57.2 160.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.491 ' C ' HD12 ' C' ' 73' ' ' LEU . 0.4 OUTLIER -157.89 -172.78 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 ttt-85 -146.45 91.91 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.54 -130.73 2.06 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.786 0 CA-C-O 117.998 -1.446 . . . . 0.0 110.971 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 484' ' ' LYS . 39.1 m-20 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 51.0 p -77.01 20.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.517 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 482' ' ' ASP . 30.7 mmtp -79.58 7.22 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 10.0 mm -60.37 -12.52 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.6 p -61.0 -37.19 81.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.7 t -69.79 -42.75 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.62 -15.29 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 6.7 tp -64.82 -31.86 55.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.79 -73.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.27 -38.58 6.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 38.8 tp -64.14 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -47.69 85.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 12.7 tt -82.43 -5.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.45 -81.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER -78.43 31.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.638 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.423 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.62 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 497' ' ' PHE . . . -110.13 128.38 8.83 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.4 t -164.88 -72.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.4 tttp 61.12 64.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -130.36 162.08 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.35 -3.59 57.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -88.27 -47.13 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 509' ' ' LEU . 53.7 t -40.81 -55.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 508' ' ' LEU . 6.6 mp -72.95 -41.28 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -38.2 -24.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 506' ' ' LEU . 7.7 tp -129.12 -42.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.345 . . . . 0.0 110.752 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 505' ' ' VAL . 31.1 tp -61.3 -32.02 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.557 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.4 tp -61.95 -63.02 4.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.673 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.557 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.57 -46.69 17.09 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.349 2.033 . . . . 0.0 111.442 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' C' ' 9' ' ' THR . 89.8 mt -52.1 -34.92 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.249 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -77.33 -36.24 54.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -163.98 83.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.688 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 516' ' ' THR . 74.2 p -90.22 16.57 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 515' ' ' SER . 1.0 OUTLIER 88.29 -0.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.744 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -174.99 70.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.465 ' CD1' ' OG ' ' A' ' 515' ' ' SER . 27.8 mt -144.75 150.3 46.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.444 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.25 170.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.836 2.358 . . . . 0.0 111.959 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 558' ' ' LEU . 16.6 mt -106.55 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.433 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -50.52 -95.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.4 m -40.7 -49.6 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.44 -53.07 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.17 -49.4 52.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.1 mtt -61.09 -55.57 30.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.78 -34.66 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.0 p -58.06 -46.71 84.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.6 tp -57.71 -55.76 30.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.493 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.71 -36.64 7.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.6 OUTLIER -64.67 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.415 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.41 -38.07 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.522 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -57.83 -48.34 80.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.09 -59.35 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -84.69 22.94 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.2 p -49.63 -32.05 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -81.97 -85.55 0.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 60.5 p -65.05 -170.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 95.6 m -151.02 -175.23 5.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 21.0 t-20 -160.49 -179.97 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -99.39 -51.93 1.28 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.486 ' N ' HH21 ' B' ' 74' ' ' ARG . 23.8 m-20 -37.66 -34.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 546' ' ' ILE . 7.1 mt -80.15 -67.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 27.1 m -46.45 -18.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.475 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.517 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 11.8 p -82.11 -51.74 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.9 p -68.76 -46.88 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.177 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 542' ' ' ILE . 2.0 mt -55.2 -55.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.343 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.458 ' N ' HG22 ' A' ' 546' ' ' ILE . 91.7 mmm -59.25 -48.74 80.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.382 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.517 ' OD2' ' O ' ' A' ' 544' ' ' THR . 1.7 m-20 -52.36 -36.83 54.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 553' ' ' ARG . 11.1 t-20 -61.73 -55.76 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.266 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.438 ' CZ ' ' CD2' ' A' ' 566' ' ' LEU . 19.2 m-85 -43.24 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.432 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 551' ' ' LEU . 6.7 mp -90.03 -78.83 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.516 ' OE2' ' NH2' ' B' ' 42' ' ' ARG . 30.0 mm-40 -45.25 -43.12 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.66 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.634 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.0 OUTLIER 65.41 -94.11 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.096 1 N-CA-C 98.63 -4.581 . . . . 0.0 98.63 -179.713 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.1 OUTLIER 55.51 -67.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.263 -168.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.726 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -18.15 -32.29 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 167.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.742 ' O ' ' N ' ' A' ' 558' ' ' LEU . 96.9 mt -1.17 -57.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.273 2.327 0 CA-C-O 115.772 -2.061 . . . . 0.0 110.994 163.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.726 ' N ' ' O ' ' A' ' 555' ' ' ALA . 64.6 mm-40 9.38 -66.69 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 121.829 2.104 . . . . 0.0 111.144 171.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.742 ' N ' ' O ' ' A' ' 556' ' ' ILE . 4.4 mm? -107.71 164.11 12.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.452 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.8 tttp -126.68 -101.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 50.14 -95.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -145.86 158.54 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 31.0 p90 -163.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.635 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.624 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 11.3 p -50.95 -20.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.563 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.55 -75.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.39 -42.44 98.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 550' ' ' PHE . 13.0 tp -52.32 -37.52 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.623 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.19 -55.22 15.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 66.2 mt -45.04 -48.97 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -57.96 -68.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.8 tp -46.57 -23.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -86.52 -77.79 1.23 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.25 -21.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.345 . . . . 0.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 571' ' ' GLY . 20.5 tp -52.52 -57.51 9.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 575' ' ' MET . 65.9 m-85 -92.26 130.63 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 574' ' ' TYR . 31.0 mtm -57.15 -157.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.07 -116.11 0.04 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -59.93 123.42 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -169.11 133.79 2.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.89 -17.87 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.83 -40.91 81.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.68 -39.34 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.1 -32.56 69.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.541 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 15.7 t70 -75.91 -62.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.6 t -49.7 -49.57 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 28.3 tp -53.35 -45.8 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.46 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -49.79 -48.45 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 2.0 m -55.49 -55.04 36.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.442 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 53.9 mt -49.43 -39.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.436 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 9.5 t -74.38 -29.1 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.402 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 47' ' ' GLY . . . -52.91 -57.58 9.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.544 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 592' ' ' GLU . 81.3 mt -81.54 123.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.49 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 591' ' ' ILE . 52.7 mt-10 -42.84 -97.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 595' ' ' MET . 5.3 m-70 40.27 78.11 0.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.68 28.21 0.35 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.004 2.47 . . . . 0.0 112.087 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.413 ' H ' ' C ' ' A' ' 593' ' ' HIS . 16.2 mtt -89.95 -37.77 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 7.3 t -83.31 -2.21 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.7 t -40.09 -31.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.75 -55.73 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.51 -44.52 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -46.01 -55.97 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -55.74 -32.4 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.496 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -72.16 -65.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.66 -26.49 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -70.22 -57.73 6.63 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.9 t -45.71 -43.43 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.514 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.3 m -80.87 -178.2 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 45.74 -150.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -62.2 121.77 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 99.1 m -55.95 -32.58 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 67.14 177.48 9.4 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 5.3 t -77.83 39.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.624 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 117.988 -1.451 . . . . 0.0 110.906 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -109.55 112.2 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.75 156.04 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.485 ' O ' HD12 ' B' ' 67' ' ' LEU . 60.4 m-85 -113.8 140.1 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.655 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.0 t -118.77 106.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.21 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 583' ' ' ASP . 17.0 ttpt -88.12 137.95 31.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.481 ' O ' ' N ' ' B' ' 9' ' ' THR . 30.9 p -103.96 143.28 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 8' ' ' LEU . 83.0 mt -45.17 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.538 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.481 ' N ' ' O ' ' B' ' 7' ' ' THR . 1.5 p -78.52 -53.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.481 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.415 ' N ' ' OG1' ' B' ' 9' ' ' THR . . . 145.55 0.91 0.79 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -85.68 129.77 34.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -111.01 121.4 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.417 HD13 HG21 ' B' ' 13' ' ' ILE . 2.7 mt -107.15 127.83 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.64 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.483 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 3.6 m -101.8 125.26 48.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.414 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.55 139.13 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.863 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -83.57 113.6 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.117 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -139.39 168.64 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.681 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 68.4 mt-10 -122.45 149.33 54.99 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.272 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -21.4 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.946 2.431 . . . . 0.0 112.427 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -91.9 -18.66 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.681 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 7.5 m-20 -45.11 136.57 4.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 173.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.454 ' O ' ' N ' ' B' ' 25' ' ' ASN . 7.3 p -88.39 134.02 33.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -40.98 -52.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -38.14 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' B' ' 22' ' ' THR . 13.2 t-20 -63.48 -48.3 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.06 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -55.23 -46.44 77.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.128 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.88 -38.12 69.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.55 81.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.76 -40.11 78.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.261 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.85 -37.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -64.71 -35.72 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -69.3 -29.52 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -80.72 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -85.94 -84.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.598 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 151.68 13.02 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.468 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 55.3 mt -83.85 118.82 72.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.682 0.277 . . . . 0.0 110.532 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 136.79 14.49 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.66 2.24 . . . . 0.0 111.847 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.7 -67.44 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.764 2.309 . . . . 0.0 111.992 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -42.8 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 38' ' ' PRO . 53.4 mm-40 -101.91 57.11 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.584 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 69.6 mt-30 -153.07 134.24 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.516 ' NH2' ' OE2' ' A' ' 552' ' ' GLU . 11.6 ttm180 -123.87 106.79 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -102.09 113.52 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -106.91 133.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.268 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.628 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 64.4 t80 -123.6 171.33 9.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.628 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -50.22 83.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 150.89 -82.9 0.18 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -152.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.646 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -101.35 146.22 27.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.14 106.84 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.61 158.58 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 163.67 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 81.09 -68.74 3.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.4 mmt180 -42.59 169.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.295 . . . . 0.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.423 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 71.6 p -116.82 171.27 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.524 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.72 2.18 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 59' ' ' TYR . 80.1 p -90.77 -33.97 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.61 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 0.4 OUTLIER -73.91 24.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.49 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.0 m-85 -148.32 3.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 55.68 37.1 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -84.9 108.38 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.464 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -89.01 -170.67 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.666 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -73.32 160.61 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 55.03 26.73 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -85.28 129.75 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.7 m -91.14 134.7 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.485 HD12 ' O ' ' B' ' 4' ' ' PHE . 5.4 mp -117.32 174.77 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.541 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 17.9 m80 -123.82 105.93 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.222 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.4 tp -90.8 138.49 31.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.786 HG12 ' H ' ' B' ' 71' ' ' LEU . 8.9 t -148.25 177.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.338 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.786 ' H ' HG12 ' B' ' 70' ' ' VAL . 1.3 pt? -161.75 155.52 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' B' ' 71' ' ' LEU . 59.9 mtt180 -39.16 167.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.863 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.3 mm? -38.15 108.13 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.486 HH21 ' N ' ' A' ' 541' ' ' ASP . 31.0 ttp180 -79.08 100.97 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.84 -127.03 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.535 ' OXT' ' CG ' ' C' ' 68' ' ' HIS . . . . . . . . 0 C--O 1.221 -0.671 0 CA-C-O 118.062 -1.41 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.457 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -86.92 121.65 29.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.484 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -127.94 147.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.08 150.82 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' C' ' 13' ' ' ILE . 61.0 t -131.9 95.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.337 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LYS . . . . . 0.402 ' CG ' HG23 ' C' ' 12' ' ' THR . 70.0 mttt -79.43 122.8 26.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 16.9 p -73.64 141.94 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.883 ' O ' HG23 ' C' ' 9' ' ' THR . 0.6 OUTLIER -31.66 -39.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.5 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.883 HG23 ' O ' ' C' ' 8' ' ' LEU . 0.8 OUTLIER -173.86 71.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.326 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.99 -91.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.576 ' CG ' ' N ' ' C' ' 12' ' ' THR . 0.4 OUTLIER -133.44 166.7 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.732 -179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.576 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.6 m -111.13 102.17 10.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' C' ' 5' ' ' VAL . 2.9 mt -83.8 148.29 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -125.59 127.62 46.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -123.86 147.07 47.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.954 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -98.38 86.44 3.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.252 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.568 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.7 m -104.38 -169.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.429 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 76.7 mt-10 -137.68 147.0 55.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.305 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.85 -17.31 0.26 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.86 2.374 . . . . 0.0 112.382 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -101.59 22.36 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 2.9 m-20 -94.25 132.52 38.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.47 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -81.55 141.87 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 mm -45.6 -53.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.45 -39.21 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.388 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 12.7 t-20 -63.41 -49.78 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.73 -53.17 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.252 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' LYS . . . . . 0.438 ' HG2' ' HZ3' ' C' ' 27' ' ' LYS . 63.3 mttm -51.94 -34.53 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.282 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -57.39 -33.98 68.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ILE . . . . . 0.402 HG21 HD13 ' C' ' 30' ' ' ILE . 13.1 mt -67.84 -41.75 85.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.405 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -61.15 -40.74 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.01 -28.54 68.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.76 -64.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -87.24 -109.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.04 21.62 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.463 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 41.7 mt -96.47 101.9 10.0 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.642 0.258 . . . . 0.0 110.492 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.08 144.43 3.95 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.665 2.243 . . . . 0.0 111.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -61.64 0.57 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.736 2.29 . . . . 0.0 111.972 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -41.82 -34.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.93 55.37 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.743 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.6 mt-30 -153.34 154.46 34.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.47 ' NH2' ' O ' ' A' ' 515' ' ' SER . 34.3 ttp180 -153.33 95.05 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.44 119.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.657 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.872 HD12 HG21 ' C' ' 70' ' ' VAL . 31.9 mt -119.02 140.27 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' C' ' 48' ' ' LYS . 82.1 t80 -147.89 141.75 25.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.52 40.52 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.45 99.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' C' ' 45' ' ' PHE . 58.5 mttp -145.42 119.41 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -75.83 132.46 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.64 119.69 27.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -71.58 158.42 36.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 104.75 13.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 148.86 -62.47 0.42 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.439 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 7.5 mmt-85 -46.53 175.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -115.35 172.63 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' C' ' 17' ' ' VAL . 83.1 mt -68.4 -16.18 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 30.3 p -76.73 -32.63 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -39.9 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.68 23.24 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 p30 40.44 31.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.75 100.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.364 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.39 -164.24 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -78.57 161.25 27.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.659 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 57.76 32.78 22.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.611 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -87.13 129.84 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -91.47 92.26 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.05 124.27 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' HIS . . . . . 0.535 ' CG ' ' OXT' ' B' ' 76' ' ' GLY . 65.0 m80 -83.67 96.44 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 21.4 tp -77.74 114.72 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.872 HG21 HD12 ' C' ' 44' ' ' ILE . 3.4 t -111.95 138.75 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.68 166.75 15.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.598 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -137.1 145.77 44.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -171.98 64.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 19.0 ttp-105 -78.34 104.14 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.97 74.91 0.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 CA-C-O 117.967 -1.463 . . . . 0.0 110.875 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 483' ' ' THR . 2.8 p30 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 484' ' ' LYS . 77.6 p -47.22 -96.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.418 ' N ' ' OG1' ' A' ' 483' ' ' THR . 37.1 mmtm -75.39 112.45 11.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.502 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 80.3 mt -51.09 -19.05 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 70.2 m -62.48 -57.98 9.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.579 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 27.4 p -48.61 -30.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.44 73.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.41 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 490' ' ' ILE . 9.2 mm -45.49 -46.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.6 tp -45.88 -63.23 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.64 -67.69 1.57 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.544 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.1 mp -43.05 -32.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.524 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -58.62 -63.56 5.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.696 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.7 pp -74.97 8.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -87.87 -72.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.583 ' C ' ' H ' ' A' ' 499' ' ' GLY . 56.2 p90 -81.98 23.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.567 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 499' ' ' GLY . . . -65.65 12.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -40.02 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 58.6 m -170.07 -33.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 110.629 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -164.54 94.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -115.51 131.38 56.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 15.7 p-10 -84.94 -12.3 53.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -80.25 -24.38 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.999 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 497' ' ' PHE . 24.6 t -74.5 -64.21 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.192 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 510' ' ' LEU . 1.7 tp -55.69 -27.81 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -64.93 -61.04 6.17 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 511' ' ' PRO . 65.8 mt -84.67 -46.59 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -50.59 -57.02 9.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.614 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.3 tp -44.23 -65.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.984 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.688 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.69 -63.38 0.33 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.311 2.007 . . . . 0.0 111.785 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.47 -20.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.566 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -87.56 -34.5 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.605 ' C ' ' H ' ' A' ' 516' ' ' THR . . . -153.35 37.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.688 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -58.23 1.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.605 ' H ' ' C ' ' A' ' 514' ' ' ALA . 0.2 OUTLIER 80.34 101.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 516' ' ' THR . 11.2 t0 77.04 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 2.2 pp -173.95 147.71 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.21 110.05 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.798 2.332 . . . . 0.0 111.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.45 HD11 ' O ' ' A' ' 558' ' ' LEU . 6.9 pt -88.46 26.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.78 -38.87 64.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.2 t -101.79 -15.47 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -80.02 -79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 69.9 mtp -45.38 -35.13 3.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.3 -56.83 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 58.6 p -46.53 -42.41 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.57 -51.88 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.564 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.6 -38.95 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.0 OUTLIER -63.69 -46.79 83.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.4 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -58.31 -47.33 84.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 535' ' ' VAL . 95.6 t -78.06 -55.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.77 7.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 536' ' ' GLY . 14.7 p -46.3 -42.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.529 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -76.74 -69.62 1.37 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 89.9 m -82.13 113.27 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.81 -175.05 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -171.65 112.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.36 49.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 544' ' ' THR . 67.6 m-20 -41.67 -37.94 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.708 0.289 . . . . 0.0 110.604 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.44 -46.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 12.8 m -65.87 -46.19 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 19.4 p -46.74 -58.69 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.13 -58.62 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.341 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -30.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.4 tpt -73.88 -50.73 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -40.09 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.37 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 553' ' ' ARG . 5.0 t30 -70.67 -58.14 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -40.59 -30.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.652 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.5 -76.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 42' ' ' ARG . 67.6 mm-40 -51.56 -19.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 549' ' ' ASN . 10.2 mmt85 42.21 45.85 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.742 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -87.94 -152.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.52 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 35.36 22.53 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.742 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.1 tp -93.28 2.58 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.67 -11.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 556' ' ' ILE . 21.7 tp -136.09 94.77 3.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.586 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 560' ' ' THR . 95.0 mttt -84.82 140.92 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 54.4 m -169.2 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.528 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 560' ' ' THR . 68.5 m-20 -158.39 124.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.589 ' CZ2' HD11 ' A' ' 556' ' ' ILE . 10.4 p-90 -167.01 -30.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.623 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 97.3 t -45.67 -38.14 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -57.8 -76.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -50.96 -50.41 58.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 44.2 tp -46.16 -50.5 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.86 75.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.38 -52.36 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -52.05 -64.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.1 tp -49.86 -11.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -91.47 -76.21 1.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 7.0 tp -50.45 -25.24 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.623 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -41.33 -72.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.437 ' CZ ' ' NE2' ' A' ' 580' ' ' GLN . 66.2 m-85 -75.5 121.46 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 6.1 mmt -79.29 -55.87 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -127.67 -150.05 7.28 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 54.9 67.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -54.31 -33.54 52.85 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.37 -51.05 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.6 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.437 ' NE2' ' CZ ' ' A' ' 574' ' ' TYR . 0.1 OUTLIER -44.76 -56.18 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.6 t -49.27 -51.87 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -40.93 -44.11 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.88 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 17.2 t70 -62.02 -50.95 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 91.2 t -50.54 -56.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 44.0 mt -45.96 -46.27 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.27 -44.92 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.5 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 3.7 m -59.6 -66.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.64 -46.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 t -67.24 -34.08 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.513 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -47.67 -44.72 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.478 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 592' ' ' GLU . 93.4 mt -90.61 155.84 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 591' ' ' ILE . 61.7 mt-10 -60.21 -116.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.563 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.2 OUTLIER 44.8 74.7 0.75 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 4.8 4.67 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.959 2.439 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.13 -22.03 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 6.9 p -82.03 -4.0 55.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 82.0 p -43.18 -49.67 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -48.44 -38.12 18.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.1 mt -73.09 -49.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -45.61 -43.29 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.01 -38.05 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.3 tt -58.12 -67.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.77 -34.94 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.93 95.1 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 6.1 t -61.93 -52.8 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.0 m -80.37 121.27 25.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.34 -168.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 42.67 -160.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 45.9 p -77.28 -65.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.605 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -51.61 135.5 33.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 16.0 p -75.66 -168.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.794 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.931 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.56 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.459 ' O ' ' OE2' ' B' ' 64' ' ' GLU . 96.5 mt-30 -99.82 105.32 17.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -96.51 145.71 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -102.18 131.02 48.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 t -111.88 107.55 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.217 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.407 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 22.4 ttpt -85.79 134.36 33.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.687 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.517 ' C ' ' H ' ' B' ' 9' ' ' THR . 16.4 p -111.7 145.58 39.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.03 -5.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.517 ' H ' ' C ' ' B' ' 7' ' ' THR . 16.1 p -88.26 -5.78 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.02 -7.26 81.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -89.97 141.05 29.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.5 m -117.41 144.23 45.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mt -123.71 141.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.576 ' C ' HD22 ' B' ' 15' ' ' LEU . 3.0 m -109.22 112.91 25.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.888 HD22 ' N ' ' B' ' 15' ' ' LEU . 1.7 mm? -109.2 126.88 53.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.92 86.34 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.5 m -113.44 170.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.735 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 45.0 mm-40 -127.22 151.7 74.92 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.11 -26.14 2.11 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.873 2.382 . . . . 0.0 112.366 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 22.33 7.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.765 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.735 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.0 m-20 -94.06 137.37 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -86.48 143.63 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.63 -41.45 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.97 -41.1 77.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.451 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.39 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.32 -51.6 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.399 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -53.08 -42.33 65.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.76 76.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -55.64 -38.04 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.347 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.47 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.382 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.66 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.85 -30.83 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -74.97 -63.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -85.24 -87.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 163.85 6.77 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.0 mt -79.68 135.61 56.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.297 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.38 139.22 25.77 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.696 2.264 . . . . 0.0 111.971 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.611 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.28 -45.72 18.07 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.744 2.296 . . . . 0.0 112.075 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.9 22.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.611 ' H ' ' C ' ' B' ' 38' ' ' PRO . 61.2 mt-30 -154.07 50.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -149.3 143.1 25.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' A' ' 552' ' ' GLU . 37.0 ttm105 -134.23 108.62 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.09 128.37 46.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.631 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -125.98 134.48 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.9 t80 -117.33 175.28 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.587 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.49 -29.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.42 -89.58 0.66 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -146.58 -149.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.543 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.1 137.48 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -87.68 111.27 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 1.3 mp0 -79.99 157.67 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.24 147.74 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 100.3 -68.94 0.5 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -43.28 166.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.684 0.278 . . . . 0.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.439 ' HG1' ' HG ' ' B' ' 57' ' ' SER . 40.5 p -112.69 174.46 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.636 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.05 -15.39 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.439 ' HG ' ' HG1' ' B' ' 55' ' ' THR . 5.7 p -80.5 -15.98 55.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.647 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.2 -4.72 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.53 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -120.09 11.23 11.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.684 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 55.94 27.42 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -76.36 119.09 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -93.72 -165.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.97 157.8 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.459 ' OE2' ' O ' ' B' ' 2' ' ' GLN . 5.0 mm-40 57.9 24.37 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.574 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.8 m -77.24 130.69 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 m -90.88 106.5 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -93.49 169.75 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.88 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 7.9 m80 -117.8 108.23 15.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.392 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -94.36 142.4 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.46 127.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.12 161.06 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -57.48 -161.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.806 HD22 ' N ' ' B' ' 73' ' ' LEU . 2.8 mm? -71.71 85.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.431 ' CZ ' ' OD1' ' A' ' 541' ' ' ASP . 56.8 ttt180 -55.74 103.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.4 48.7 1.22 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.759 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.921 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -85.03 112.8 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.3 pt -118.63 152.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.641 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.445 ' CE1' ' OG1' ' C' ' 14' ' ' THR . 96.4 m-85 -107.27 147.78 29.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.1 t -131.79 95.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.7 120.99 24.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.942 HG23 ' O ' ' C' ' 11' ' ' LYS . 30.1 p -74.36 142.59 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.139 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.578 HD22 HG13 ' C' ' 70' ' ' VAL . 18.8 tp -43.45 -41.59 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.296 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.567 HG23 ' O ' ' C' ' 8' ' ' LEU . 24.1 p -159.19 60.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.244 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLY . . . . . 0.597 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -144.93 -82.34 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.942 ' O ' HG23 ' C' ' 7' ' ' THR . 0.1 OUTLIER -164.63 169.14 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.404 . . . . 0.0 110.799 -179.586 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.499 ' N ' ' HG3' ' C' ' 11' ' ' LYS . 24.2 m -97.07 108.94 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.509 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.29 137.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.725 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' C' ' 4' ' ' PHE . 78.2 m -111.09 122.02 46.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -121.74 135.7 54.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.757 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -88.58 78.35 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' C' ' 56' ' ' LEU . 5.0 m -95.87 -170.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.478 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 31.6 mt-10 -141.25 145.94 40.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.349 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.43 -24.2 2.54 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.861 2.374 . . . . 0.0 112.34 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.9 6.06 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 12.3 m-20 -86.6 141.7 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -173.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.4 p -91.38 136.78 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.554 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.2 mm -39.37 -54.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -48.15 -44.18 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.425 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 35.9 t-20 -58.11 -48.43 80.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -55.41 -53.83 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -48.69 -35.99 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.239 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.75 -49.94 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.244 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.71 -31.86 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.52 -46.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.86 -39.1 57.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -67.45 -62.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.01 -97.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.16 6.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 44.2 mt -78.88 126.96 81.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -73.43 144.66 36.77 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.585 2.19 . . . . 0.0 111.94 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.608 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.43 -48.3 13.76 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.831 2.354 . . . . 0.0 112.011 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.3 29.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' C' ' 38' ' ' PRO . 63.9 mt-30 -154.1 10.12 0.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 82.8 mt-30 -114.33 155.82 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.533 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -150.19 108.65 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.17 111.81 20.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.799 HD12 HG21 ' C' ' 70' ' ' VAL . 33.6 mt -115.18 123.97 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.512 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -119.32 107.05 12.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.78 25.07 14.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.88 65.03 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -100.77 105.48 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.644 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.28 130.61 41.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.43 131.39 34.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 9.6 mp0 -89.44 158.62 17.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.557 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.2 OUTLIER -70.39 163.23 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.59 -63.5 4.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' C' ' 54' ' ' ARG . 31.0 mmt-85 -46.82 165.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.548 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 54.6 p -111.48 166.83 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' C' ' 17' ' ' VAL . 71.0 mt -65.92 -17.46 64.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.604 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -78.76 -19.77 51.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -82.21 9.84 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -135.87 9.59 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 58.01 27.14 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.619 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -76.72 90.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -76.22 -157.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.665 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -81.15 159.73 24.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 58.52 34.36 23.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.722 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -90.07 129.58 36.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -90.67 115.28 27.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -106.57 121.36 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -81.06 103.65 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.94 119.29 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.799 HG21 HD12 ' C' ' 44' ' ' ILE . 1.6 t -116.87 149.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tp -87.29 157.55 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 65.83 146.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.656 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.852 HD23 ' N ' ' C' ' 73' ' ' LEU . 1.2 pt? -155.42 46.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 54.01 62.0 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.555 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.24 97.39 0.12 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.743 0 CA-C-O 117.975 -1.459 . . . . 0.0 110.991 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 487' ' ' SER . 53.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.766 0.317 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . 0.428 ' N ' ' OG ' ' A' ' 486' ' ' SER . 51.2 p -46.73 -47.23 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.71 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -64.88 -66.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 15.5 mm -49.01 -39.62 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.58 -48.17 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.39 94.42 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.9 mp -59.94 -45.58 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.527 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.76 -40.6 72.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 495' ' ' ILE . 71.8 mt -81.88 -10.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.582 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.45 -76.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -87.32 28.21 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.72 -66.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.38 75.6 0.57 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 35.0 t -163.22 94.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -71.91 52.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 503' ' ' ASP . 0.5 OUTLIER -83.69 126.66 33.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.491 ' N ' HD22 ' A' ' 502' ' ' ASN . 49.3 t0 -72.16 5.79 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.688 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -83.67 -66.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.94 -47.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.3 -43.06 98.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.12 -9.73 12.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 82.9 mt -111.45 -39.57 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.714 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 509' ' ' LEU . 61.3 mt -67.96 -54.4 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.513 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mt -43.12 -64.07 0.83 Allowed Pre-proline 0 C--N 1.331 -0.227 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.433 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.63 -55.59 3.45 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.602 2.202 . . . . 0.0 111.51 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 512' ' ' ILE . 76.3 mt -61.85 -11.0 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -103.36 -22.1 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' B' ' 73' ' ' LEU . . . -163.19 50.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.726 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.6 p -88.88 9.43 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.6 p 49.1 63.39 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 518' ' ' LEU . 26.1 t70 -173.71 -103.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -34.68 155.09 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -44.83 -175.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.952 2.435 . . . . 0.0 112.129 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.96 9.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 523' ' ' ALA . 89.7 mt-10 -64.12 -88.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.621 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 51.1 p -52.77 -7.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 521' ' ' GLU . . . -71.78 -61.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -45.28 -62.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.4 mtt -43.08 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.42 -55.15 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 20.3 p -41.28 -45.83 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.624 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.51 -41.13 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.0 -52.37 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.35 -53.65 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.49 -46.29 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.01 -47.27 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 535' ' ' VAL . 73.2 t -70.11 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.608 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.79 19.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 536' ' ' GLY . 8.3 p -47.06 -42.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.517 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -83.62 -77.61 1.11 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 64.7 m -74.88 110.86 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 20.7 p -89.78 126.14 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.473 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -83.33 -178.59 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 542' ' ' ILE . . . -96.15 -55.68 1.26 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -44.4 -22.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.422 ' N ' ' C ' ' A' ' 540' ' ' GLY . 96.7 mt -77.47 -78.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 4.7 m -42.8 -25.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 548' ' ' ASP . 22.6 p -70.4 -53.84 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.522 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -48.14 71.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.189 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.25 -39.54 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.473 ' C ' ' H ' ' A' ' 549' ' ' ASN . 19.4 ttm -70.79 -56.17 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.212 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 544' ' ' THR . 27.4 m-20 -54.02 -8.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.265 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 553' ' ' ARG . 5.2 t-20 -87.45 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.191 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -46.58 -25.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.394 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.31 -79.6 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.374 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.515 ' CG ' HH12 ' B' ' 42' ' ' ARG . 15.0 mt-10 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.201 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 549' ' ' ASN . 9.2 ttp180 70.83 -78.43 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.736 ' O ' ' HB ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 54.94 -104.27 0.21 Allowed 'General case' 0 CA--C 1.543 0.682 1 N-CA-C 97.59 -4.967 . . . . 0.0 97.59 -169.607 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.693 ' C ' ' O ' ' A' ' 554' ' ' THR . . . -15.8 82.43 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -165.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.736 ' HB ' ' O ' ' A' ' 554' ' ' THR . 21.0 tt -130.93 -8.66 2.15 Favored 'Isoleucine or valine' 1 C--O 1.123 -5.585 0 C-N-CA 129.131 2.972 . . . . 0.0 110.999 -167.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 556' ' ' ILE . 29.4 mm-40 -34.65 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.364 1.233 1 O-C-N 129.288 4.117 . . . . 0.0 110.429 177.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 556' ' ' ILE . 47.2 mt -148.19 -179.93 7.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 560' ' ' THR . 57.1 tttm -172.46 145.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 29.3 m -167.82 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.466 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 40.5 p-10 -165.02 105.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -159.39 -8.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.41 -18.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -71.43 -55.13 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.61 -35.96 82.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.39 -55.59 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.65 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.46 -50.97 61.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -51.59 -56.94 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -45.6 -29.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.22 -66.38 1.92 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.5 pt -67.57 -6.46 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 569' ' ' ALA . 43.1 tp -46.21 -30.86 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -105.41 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 55.1 mtp -70.48 -43.74 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 151.72 -81.35 0.18 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -77.1 104.05 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -177.42 123.65 0.9 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -64.63 -6.2 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -50.36 -50.17 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 582' ' ' ASP . 8.5 p -56.45 -43.67 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.553 ' N ' HG13 ' A' ' 581' ' ' VAL . 1.1 m-20 -47.16 -47.1 23.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.29 -50.45 73.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.6 t -46.82 -56.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 68.2 mt -49.58 -35.4 20.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -60.09 -33.73 72.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 4.4 m -72.17 -45.32 60.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.543 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.74 -30.94 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 30.7 t -80.72 -31.18 36.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.05 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.1 tt -104.72 149.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.08 -134.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.511 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.94 73.8 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.43 14.65 0.92 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.038 2.492 . . . . 0.0 111.982 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 43.4 mtm -78.95 -38.36 37.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 596' ' ' THR . 0.0 OUTLIER -74.84 -2.43 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 62.5 m -41.34 -52.92 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.7 -41.83 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 602' ' ' LEU . 18.3 mt -67.28 -49.6 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.26 -30.96 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 36.2 t -79.36 -30.51 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.499 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -67.8 -67.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.71 -42.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.68 -60.52 8.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 23.7 p -45.22 -35.96 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.6 m -82.01 -178.83 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.595 ' HB3' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -101.95 106.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -102.42 151.87 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.09 156.85 17.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.21 106.24 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.129 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -92.18 121.26 33.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p -84.87 161.19 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.72 4.48 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.6 p -93.41 -52.35 4.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.07 57.65 0.02 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -165.72 153.54 10.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' B' ' 13' ' ' ILE . 89.9 m -121.03 155.57 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' B' ' 12' ' ' THR . 0.1 OUTLIER -134.48 129.26 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.666 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.531 ' C ' HD12 ' B' ' 15' ' ' LEU . 17.1 m -97.91 103.4 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.531 HD12 ' C ' ' B' ' 14' ' ' THR . 11.3 mp -108.99 132.2 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -88.12 113.11 23.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.4 m -133.38 -168.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.912 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.1 mt-10 -140.44 179.31 1.29 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.071 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.513 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.4 Cg_exo -74.63 -35.91 3.23 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.738 2.292 . . . . 0.0 112.169 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -76.26 -11.93 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.2 m-20 -60.43 135.86 57.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.534 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 4.1 p -89.98 136.1 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -41.98 -39.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.342 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.35 -45.02 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.316 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.434 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 2.9 m-20 -60.17 -38.12 82.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.224 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.66 -53.98 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -49.38 -40.36 35.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.272 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.9 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.324 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -53.67 -36.71 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.372 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -67.74 -49.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -52.16 -33.3 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.434 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -74.65 -35.86 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.47 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -68.18 -57.75 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.473 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.3 -95.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.71 6.95 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.466 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 68.5 mt -73.18 129.65 85.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.65 0.262 . . . . 0.0 110.433 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.97 138.29 25.53 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.588 2.192 . . . . 0.0 111.935 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.29 -50.66 9.82 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.3 . . . . 0.0 112.006 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.71 -3.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.543 ' H ' ' C ' ' B' ' 38' ' ' PRO . 6.1 mt-30 -135.02 68.53 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -152.82 157.63 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.716 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.515 HH12 ' CG ' ' A' ' 552' ' ' GLU . 22.0 ttm180 -151.09 103.78 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -100.07 125.41 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 mt -124.21 142.12 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.257 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.3 t80 -143.23 160.83 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.29 90.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 149.46 -61.88 0.42 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -175.91 -151.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -97.0 145.81 25.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -88.39 117.9 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.59 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -85.31 158.6 20.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.75 152.56 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 91.82 -66.33 2.24 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -40.89 164.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.648 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -110.54 155.5 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 56' ' ' LEU . 83.8 mt -56.03 -16.86 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.513 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 14.9 m -74.8 -38.34 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -54.48 -41.82 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.651 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -87.58 18.34 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.61 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.408 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 1.6 p-10 42.21 32.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.89 110.84 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.413 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -87.11 -172.07 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HB3' ' HB3' ' B' ' 1' ' ' MET . 14.6 ptpt -74.85 161.21 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 58.77 26.46 14.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -86.79 132.01 33.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -85.29 118.18 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.525 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.45 112.29 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -74.13 106.77 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.5 tp -99.56 133.79 43.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 t -136.91 144.53 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.541 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.7 mp -81.17 167.72 19.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.692 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 61.6 ttt180 -65.44 168.01 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 13.5 tp -79.55 92.69 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -134.62 -152.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.25 128.19 1.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.853 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.453 ' HB3' ' HB3' ' C' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -105.37 105.58 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.626 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 pt -95.98 149.19 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -105.46 148.77 26.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.56 95.71 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.153 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -81.2 130.05 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 1.001 HG23 ' O ' ' C' ' 11' ' ' LYS . 9.7 p -90.63 143.72 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.176 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.594 HD11 HG13 ' C' ' 70' ' ' VAL . 84.6 mt -36.13 -48.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.575 HG23 ' O ' ' C' ' 8' ' ' LEU . 21.6 p -158.96 51.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.377 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . 0.664 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -128.48 -71.48 0.15 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 1.001 ' O ' HG23 ' C' ' 7' ' ' THR . 0.0 OUTLIER -174.84 169.92 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.963 0.411 . . . . 0.0 110.775 -179.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.558 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 11.5 m -103.17 101.42 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 13' ' ' ILE . 1.6 mt -86.53 137.59 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -111.25 127.59 55.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.111 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mt -128.1 135.64 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.833 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.22 107.34 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.4 m -127.57 -172.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 1.6 mt-10 -135.7 178.47 1.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.109 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -74.77 -26.49 11.36 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.745 2.297 . . . . 0.0 112.135 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.46 1.18 55.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 5.3 m-20 -73.57 136.06 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -88.85 141.55 28.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.747 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 27.1 mm -45.63 -51.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.349 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -48.73 -42.33 34.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.306 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.487 HD21 ' NZ ' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -60.09 -45.53 92.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.189 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.92 -52.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.146 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -50.52 -34.51 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.21 -44.64 83.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . 0.487 ' NZ ' HD21 ' C' ' 25' ' ' ASN . 48.1 mttm -60.14 -34.69 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.39 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mt -70.6 -44.84 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -57.82 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -74.8 -34.42 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.46 -108.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.1 12.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -82.63 121.45 77.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 110.494 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.92 141.91 34.09 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.641 2.227 . . . . 0.0 111.88 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.61 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -46.75 16.07 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -61.43 8.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.61 ' H ' ' C ' ' C' ' 38' ' ' PRO . 2.4 mm100 -141.88 35.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -126.87 171.44 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -172.12 95.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.68 117.58 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.961 HD12 HG21 ' C' ' 70' ' ' VAL . 48.3 mt -114.79 132.45 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -133.34 128.84 36.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.553 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.67 28.68 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.41 -14.17 55.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' C' ' 48' ' ' LYS . 1.4 mptm? -89.13 114.6 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.315 . . . . 0.0 110.616 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -74.31 134.61 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.68 131.89 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -93.28 159.13 15.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.05 157.56 36.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.521 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 92.31 -62.18 2.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 53' ' ' GLY . 25.8 mmt-85 -42.93 168.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 39.1 p -118.69 156.7 28.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.409 ' CD1' HG21 ' C' ' 17' ' ' VAL . 78.6 mt -59.07 -12.69 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -83.57 -30.88 26.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.65 -39.3 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.82 -1.96 57.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 73.63 1.67 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -46.09 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.02 -160.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' C' ' 1' ' ' MET . 50.0 pttt -80.3 160.2 25.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.768 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 54.01 25.89 5.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.73 129.84 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -86.65 111.97 21.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.31 125.79 50.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -81.82 105.17 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.18 112.49 15.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.961 HG21 HD12 ' C' ' 44' ' ' ILE . 2.2 t -120.2 155.4 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.734 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 20.9 mt -102.78 163.7 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.385 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.812 0.339 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 67.9 m -64.37 -48.86 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -55.73 -29.23 59.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.58 49.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.2 -35.33 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.31 -70.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.518 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -44.41 -39.36 5.63 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 6.7 tp -68.06 -35.92 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 110.507 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.5 -35.31 61.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.83 -16.9 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -64.95 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 45.4 p90 -83.71 27.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.58 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.493 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -94.08 -150.59 27.1 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 15.5 p 43.58 71.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -72.8 53.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.53 -172.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.648 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -101.58 10.43 40.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.427 ' HG3' ' HZ1' ' C' ' 6' ' ' LYS . 71.6 tt0 -91.18 -46.93 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.208 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 16.0 t -41.86 -50.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.383 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 506' ' ' LEU . 9.9 mp -80.29 -36.62 34.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.525 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.02 1.7 1.24 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.513 HD11 ' O ' ' C' ' 8' ' ' LEU . 8.8 tp -139.63 -47.49 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.622 HD23 ' C ' ' A' ' 509' ' ' LEU . 4.8 tt -65.29 -54.79 23.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.544 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.4 tp -43.21 -62.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.766 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -47.23 -51.13 9.96 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.356 2.038 . . . . 0.0 111.677 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.8 mt -53.32 -17.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -83.87 -38.4 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -151.98 50.99 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.721 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -83.91 21.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 63.3 p 50.43 54.4 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.62 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -177.39 -30.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.602 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.6 mm? -85.45 141.78 37.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -46.89 -172.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.746 2.297 . . . . 0.0 111.915 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.655 HD11 ' O ' ' A' ' 555' ' ' ALA . 59.3 mt -104.88 -29.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -64.23 -68.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 32.0 p -49.54 -34.81 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -68.25 -49.78 58.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.83 60.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.4 mtt -71.56 -36.08 70.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -58.14 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.8 t -58.29 -31.01 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.8 tt -56.42 -59.89 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.71 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.1 tt -43.39 -50.71 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.84 -43.46 92.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -46.1 -49.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.452 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.6 t -72.54 -58.82 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.535 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -77.24 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 536' ' ' GLY . 15.0 p -47.6 -40.68 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.5 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -81.13 -99.34 0.37 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.02 110.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.408 ' SG ' HD11 ' A' ' 573' ' ' LEU . 28.6 t -94.93 131.17 41.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.76 178.19 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 542' ' ' ILE . . . -100.19 -57.33 0.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.524 ' CG ' HH22 ' B' ' 74' ' ' ARG . 72.1 m-20 -41.0 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 0.0 110.625 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 540' ' ' GLY . 97.1 mt -72.97 -59.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 10.2 m -58.28 -40.21 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 75.2 p -54.15 -57.58 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 70.8 p -60.16 -53.37 58.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.391 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.26 -37.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.09 -39.6 60.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.461 ' OD2' ' O ' ' B' ' 71' ' ' LEU . 76.8 m-20 -48.63 -36.15 15.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.222 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 553' ' ' ARG . 4.4 m120 -77.84 -58.29 3.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -40.36 -36.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.434 ' HB2' HH22 ' B' ' 42' ' ' ARG . 37.4 mt -91.01 -77.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.6 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.12 -43.54 98.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.859 ' O ' ' C ' ' A' ' 554' ' ' THR . 26.6 ttm-85 72.68 -61.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.859 ' C ' ' O ' ' A' ' 553' ' ' ARG . 0.0 OUTLIER 26.77 -123.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 1 N-CA-C 97.718 -4.919 . . . . 0.0 97.718 -179.733 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.673 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 15.36 50.46 0.0 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.751 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -108.82 -2.63 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.717 -179.011 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' ILE . 33.2 mt-10 -33.84 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 556' ' ' ILE . 85.2 mt -137.07 175.85 9.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.353 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.444 ' O ' ' OG1' ' A' ' 560' ' ' THR . 34.6 pttt -176.27 127.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.693 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 m -168.62 68.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.508 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 560' ' ' THR . 36.2 t0 59.68 121.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.41 ' H ' ' H ' ' A' ' 563' ' ' VAL . 24.0 p-90 -179.42 -0.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.41 ' H ' ' H ' ' A' ' 562' ' ' TRP . 11.8 p -70.41 -35.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -60.01 -49.46 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -66.64 -53.08 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 tp -47.73 -56.38 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.87 -29.86 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 568' ' ' LEU . 1.7 tt -63.38 -59.73 4.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.7 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -53.69 -23.06 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -77.64 -66.59 1.75 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 572' ' ' ILE . 11.1 tp -63.92 -20.24 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.629 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.408 HD11 ' SG ' ' A' ' 538' ' ' CYS . 19.3 tp -46.0 -63.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.487 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -80.01 112.65 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.1 ttt -43.98 -80.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 169.43 -174.83 43.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 44.89 73.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -179.79 131.37 1.64 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -68.52 3.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.669 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 578' ' ' GLY . 21.2 mt-30 -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.57 -36.89 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -54.09 -54.31 41.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 586' ' ' GLU . 16.2 t70 -55.54 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.8 t -40.96 -52.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.43 -33.1 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 583' ' ' ASP . 11.5 tt0 -60.94 -37.92 84.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.506 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.5 OUTLIER -65.45 -51.18 61.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.3 mt -48.37 -31.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.1 t -85.48 -21.82 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.531 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -67.97 -37.06 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 592' ' ' GLU . 2.4 tp -83.23 154.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.511 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 591' ' ' ILE . 94.3 mt-10 -59.48 -127.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.512 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 44.1 75.5 0.64 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.28 -0.62 10.27 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.024 2.483 . . . . 0.0 111.971 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 4.5 ptm -73.21 -10.62 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 44.6 p -79.5 -3.58 47.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 5.9 t -43.3 -45.76 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.93 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.88 -27.67 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -62.97 -50.94 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.22 -34.07 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.88 -69.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.57 -19.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.5 -64.75 2.83 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 m -53.67 -59.48 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.643 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 53.6 t -75.6 118.79 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.458 ' N ' ' O ' ' B' ' 17' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -105.68 121.15 43.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -124.44 153.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.454 ' HE1' ' HG1' ' B' ' 14' ' ' THR . 61.9 m-85 -106.3 143.84 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -123.56 105.75 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.314 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -80.78 158.6 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.713 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.3 p -139.3 143.43 37.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.8 -3.66 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.538 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -94.68 12.11 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.03 72.38 0.85 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -170.38 140.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 110.611 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -124.44 113.72 18.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.422 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -98.21 133.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.454 ' HG1' ' HE1' ' B' ' 4' ' ' PHE . 15.8 m -101.64 119.46 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.234 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.13 135.04 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -90.57 93.14 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.25 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.1 m -115.35 -166.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 2.5 mt-10 -136.93 177.71 2.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.037 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.16 -24.43 12.58 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.81 2.34 . . . . 0.0 112.35 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -89.1 -11.03 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.1 m-20 -60.16 141.52 55.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.666 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 67.3 p -92.29 147.46 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.66 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.628 HG22 ' HZ2' ' B' ' 27' ' ' LYS . 19.8 mm -50.0 -48.82 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.367 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -50.78 -41.02 56.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.335 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.484 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 14.2 t-20 -62.28 -43.97 97.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.331 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.25 -48.45 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.628 ' HZ2' HG22 ' B' ' 23' ' ' ILE . 42.7 mttp -53.62 -44.09 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.226 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.12 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.484 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.6 mttp -56.06 -43.93 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.216 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.27 -44.64 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.358 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.06 -42.57 89.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.474 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -69.85 -66.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.57 -110.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.06 25.65 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.562 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 49.8 mt -95.42 115.51 65.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.61 0.243 . . . . 0.0 110.511 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.04 137.94 12.9 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.65 2.233 . . . . 0.0 111.814 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -52.87 6.73 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.745 2.296 . . . . 0.0 112.036 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -70.1 38.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.502 ' H ' ' C ' ' B' ' 38' ' ' PRO . 52.9 mt-30 -158.11 40.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 33.2 mt-30 -146.02 110.82 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.819 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.434 HH22 ' HB2' ' A' ' 551' ' ' LEU . 72.3 mtp180 -89.93 108.18 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.1 121.82 39.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.939 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.47 139.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.17 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' B' ' 47' ' ' GLY . 84.9 t80 -153.6 116.8 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 47' ' ' GLY . . . 38.15 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.762 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -35.97 -75.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -174.87 -141.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.902 0.382 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -87.52 130.62 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.328 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.431 ' N ' HD23 ' B' ' 50' ' ' LEU . 8.2 mt -80.69 119.47 23.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.631 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -71.04 159.85 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -83.72 101.25 11.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.52 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 150.68 -63.27 0.4 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.697 ' HE ' ' N ' ' B' ' 54' ' ' ARG . 3.9 mmp_? -46.92 176.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.559 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 53.5 p -111.38 176.86 4.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' B' ' 17' ' ' VAL . 63.5 mt -80.23 3.15 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.734 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.414 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 20.7 p -92.29 -38.99 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -58.57 -29.44 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -95.48 8.66 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.465 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER 52.16 28.07 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.71 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.09 104.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.99 -157.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -88.17 157.55 18.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.744 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.78 29.76 16.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -88.38 128.74 35.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.403 ' C ' HD12 ' B' ' 67' ' ' LEU . 10.6 m -88.9 110.55 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.565 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.7 mp -92.93 112.12 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.474 ' NE2' ' OD2' ' A' ' 583' ' ' ASP . 14.6 m80 -69.62 112.98 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.741 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.4 tt -102.58 125.77 49.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.712 ' N ' HD23 ' B' ' 69' ' ' LEU . 29.2 t -124.56 162.8 25.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.535 ' N ' HG12 ' B' ' 70' ' ' VAL . 5.0 mp -130.0 138.98 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' B' ' 74' ' ' ARG . 91.7 mtt180 -61.02 -171.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.936 HD22 ' H ' ' B' ' 73' ' ' LEU . 2.0 mm? -65.55 69.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.524 HH22 ' CG ' ' A' ' 541' ' ' ASP . 33.4 ttp85 -65.5 -1.44 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.96 -142.69 41.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.027 -1.43 . . . . 0.0 110.983 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.503 ' N ' ' O ' ' C' ' 17' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -82.21 117.64 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.41 HD12 HD22 ' C' ' 67' ' ' LEU . 6.1 pt -120.62 150.86 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.518 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.49 95.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.251 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . 0.427 ' HZ1' ' HG3' ' A' ' 504' ' ' GLU . 31.1 ttpt -79.63 123.15 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.71 HG23 ' O ' ' C' ' 11' ' ' LYS . 74.9 p -70.63 150.1 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.211 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.736 HD13 HG13 ' C' ' 70' ' ' VAL . 16.1 tp -36.14 -28.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.573 HG22 ' C ' ' C' ' 8' ' ' LEU . 0.0 OUTLIER 167.87 73.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.489 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.01 -75.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.71 ' O ' HG23 ' C' ' 7' ' ' THR . 24.1 tttp -140.83 162.71 34.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.68 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.565 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 88.2 m -114.95 113.89 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.392 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.34 154.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.636 ' C ' HD12 ' C' ' 15' ' ' LEU . 4.7 m -122.53 109.21 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.636 HD12 ' C ' ' C' ' 14' ' ' THR . 10.6 mp -111.23 140.12 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.929 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -93.49 121.87 35.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.103 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' C' ' 1' ' ' MET . 3.7 m -144.49 -175.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.958 0.409 . . . . 0.0 110.944 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.593 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 34.8 mt-10 -132.2 147.45 65.8 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.134 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -30.43 7.28 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.969 2.446 . . . . 0.0 112.55 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -82.16 -12.29 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.118 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.593 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 21.1 m-20 -59.37 141.97 53.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.919 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -90.26 144.17 26.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.582 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -47.58 -55.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -46.31 -41.52 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.366 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.508 ' C ' HD22 ' C' ' 25' ' ' ASN . 0.1 OUTLIER -61.04 -42.04 97.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.235 179.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.32 -46.02 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.151 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -54.47 -41.32 69.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.123 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.04 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.17 -38.7 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.226 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.67 -40.69 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.328 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.452 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 34.1 tp60 -58.76 -38.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.344 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.97 -35.16 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.45 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -92.63 -108.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.98 19.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 40.0 mt -89.36 107.68 19.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.495 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.14 143.42 4.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.652 2.234 . . . . 0.0 111.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.93 -58.24 1.76 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.767 2.312 . . . . 0.0 112.012 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -48.72 -32.46 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.679 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -92.94 53.89 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 54.7 mt-30 -156.57 147.99 22.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.61 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.504 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 2.4 tpt180 -144.87 106.78 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.15 118.64 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.947 HD12 HG21 ' C' ' 70' ' ' VAL . 41.3 mt -120.58 123.98 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 50.4 t80 -140.87 154.91 46.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 44.04 42.7 5.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.67 46.2 59.55 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -159.73 135.24 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.644 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.504 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 34.2 tt0 -76.67 136.02 39.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.81 122.9 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -80.5 158.35 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 165.51 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.96 -64.35 4.25 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 12.9 mmt85 -46.25 168.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.6 p -111.29 171.12 7.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' C' ' 17' ' ' VAL . 62.3 mt -67.01 -14.52 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.442 ' C ' ' H ' ' C' ' 59' ' ' TYR . 83.6 p -77.31 -29.74 53.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' C' ' 58' ' ' ASP . 1.5 m-20 -74.01 15.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.692 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' C' ' 57' ' ' SER . 89.8 m-85 -144.97 20.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 11.7 p30 43.14 36.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -81.6 97.3 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.353 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -82.18 -168.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.714 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.3 160.2 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 56.61 35.15 25.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.734 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -91.95 135.79 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -88.92 112.29 23.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.41 HD22 HD12 ' C' ' 3' ' ' ILE . 8.7 mp -98.89 112.42 24.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -73.22 102.09 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.17 117.04 22.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.947 HG21 HD12 ' C' ' 44' ' ' ILE . 1.4 t -122.54 121.84 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.461 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.93 144.34 36.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.786 0.326 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 29.4 t -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.0 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -60.72 -69.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.1 mm -55.76 -25.28 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.8 tt -59.46 -67.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.494 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.4 -48.45 85.94 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 1.9 tp -60.77 -31.76 71.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.537 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -58.46 -55.34 31.29 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.9 tt -78.52 -7.23 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 0.0 110.684 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -69.13 -67.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 1.6 p90 -79.34 28.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -54.17 -59.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.517 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -101.55 66.57 0.45 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 68.9 p -156.17 77.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -86.5 57.48 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -94.94 177.4 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.75 3.6 40.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.527 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 32.1 tt0 -89.1 -57.02 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 31.9 t -41.09 -47.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.582 ' C ' ' H ' ' A' ' 508' ' ' LEU . 64.7 mt -72.41 -51.63 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -50.67 -3.69 0.05 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.582 ' H ' ' C ' ' A' ' 506' ' ' LEU . 9.5 tp -121.0 -56.71 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.78 -33.76 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.545 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.0 tp -62.13 -62.35 5.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.778 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.598 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -46.51 -55.45 3.76 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.419 2.079 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.94 -21.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.398 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -85.24 -23.74 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -169.65 59.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.657 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.1 p -74.28 -6.68 49.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.413 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.6 46.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -171.33 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 519' ' ' PRO . 19.3 mt -91.41 143.51 28.3 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.488 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -46.54 -173.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.754 2.302 . . . . 0.0 112.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 558' ' ' LEU . 7.9 mt -97.92 -21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -51.63 -93.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.5 p -41.3 -43.97 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.654 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.88 -53.59 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.24 -36.87 53.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.2 tpt -63.21 -51.54 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.47 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.496 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -60.85 -58.59 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.454 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.34 -55.0 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.0 -37.59 6.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -60.43 -41.58 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.467 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.45 -46.28 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.516 ' C ' ' H ' ' A' ' 535' ' ' VAL . 60.7 t -67.37 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.654 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.39 26.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.516 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.7 p -48.57 -30.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.51 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.57 -101.5 0.47 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 537' ' ' THR . 0.2 OUTLIER -62.21 121.23 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.547 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 573' ' ' LEU . 94.1 m -96.71 127.82 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.445 ' CG ' ' H ' ' A' ' 540' ' ' GLY . 9.4 t-20 -84.21 -178.21 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.445 ' H ' ' CG ' ' A' ' 539' ' ' ASN . . . -98.01 -55.8 1.11 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.477 ' O ' ' OG1' ' A' ' 544' ' ' THR . 63.8 m-20 -42.88 -31.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.39 -46.37 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.5 m -70.44 -23.55 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 32.9 p -69.08 -54.25 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 63.0 p -63.12 -51.28 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.223 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 547' ' ' MET . 0.9 OUTLIER -52.58 -50.4 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.315 179.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.456 ' N ' HG22 ' A' ' 546' ' ' ILE . 81.2 mmm -61.57 -49.17 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -46.59 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.249 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 553' ' ' ARG . 31.9 t-20 -54.3 -60.21 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.184 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -45.8 -34.31 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.358 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 42.1 mt -83.08 -77.18 0.25 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.538 ' CG ' HH12 ' B' ' 42' ' ' ARG . 27.1 mt-10 -55.17 -43.34 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.1 OUTLIER 71.01 -23.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.89 ' C ' ' H ' ' A' ' 556' ' ' ILE . 99.1 m -28.09 -40.65 0.02 OUTLIER 'General case' 0 C--N 1.26 -3.29 0 CA-C-O 125.327 2.489 . . . . 0.0 111.002 -162.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.747 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . -45.64 3.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 112.712 -2.04 . . . . 0.0 109.56 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.89 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -42.66 -3.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.286 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.739 ' N ' ' O ' ' A' ' 555' ' ' ALA . 33.9 mt-10 -78.49 70.22 4.81 Favored 'General case' 0 CA--C 1.547 0.849 1 N-CA-C 98.972 -4.455 . . . . 0.0 98.972 -175.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 558' ' ' LEU . 1.4 pt? -110.14 -179.85 3.9 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.457 ' N ' ' HG ' ' A' ' 558' ' ' LEU . 56.6 tttm -145.91 -11.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.5 p -148.14 -137.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.657 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -78.16 166.81 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 8.1 p90 -171.38 -45.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.609 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.8 p -49.99 -24.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -72.3 -74.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -55.14 -48.19 74.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 tp -49.77 -56.76 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.54 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.72 75.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.3 tp -45.79 -43.53 13.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.43 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.22 -4.15 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -86.58 -61.34 1.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.3 tt -76.64 -14.8 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.472 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 19.9 tp -43.21 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -64.12 121.24 13.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.582 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 1.0 OUTLIER -80.36 -67.14 0.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.582 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -73.72 63.93 1.89 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -49.74 144.13 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.594 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 162.36 -133.63 3.18 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -57.42 -23.21 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -58.84 -51.24 70.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.54 -34.57 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.89 -42.81 80.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -65.97 -41.35 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -50.68 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.72 -47.95 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -49.1 -44.68 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 1.3 m -64.91 -49.54 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.27 -21.06 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.518 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 48.8 m -90.09 -25.9 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.25 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 2.3 tp -87.67 156.83 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.551 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -70.09 -114.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 595' ' ' MET . 36.4 m80 41.15 53.03 6.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.49 -10.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.019 2.48 . . . . 0.0 112.02 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 593' ' ' HIS . 10.7 mmt -76.69 -12.27 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 59.8 p -81.89 -9.99 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 9.9 t -45.79 -42.74 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.07 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.96 -47.36 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.626 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -53.24 -46.91 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.1 -26.18 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 602' ' ' LEU . 2.1 tt -76.84 -71.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.05 -33.59 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.17 -49.33 62.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 36.6 m -52.09 -51.57 56.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.23 118.41 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.514 ' SD ' HG23 ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -86.09 112.78 21.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.445 HG23 ' SD ' ' B' ' 1' ' ' MET . 5.2 pt -102.82 150.63 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.697 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -103.43 142.15 34.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.32 106.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.383 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -96.33 122.99 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.491 ' C ' ' H ' ' B' ' 9' ' ' THR . 80.9 p -85.03 157.11 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.08 2.25 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.491 ' H ' ' C ' ' B' ' 7' ' ' THR . 30.6 p -93.61 -45.73 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.5 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.67 5.63 1.93 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -97.46 137.42 36.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -111.84 146.86 36.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.76 129.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.687 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -97.25 128.77 44.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -130.77 132.35 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.15 114.31 21.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.301 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.514 HG23 ' SD ' ' B' ' 1' ' ' MET . 5.4 m -137.23 -174.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.562 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 84.9 mt-10 -142.6 147.4 42.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.251 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.76 -10.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.744 2.296 . . . . 0.0 112.216 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -106.28 15.96 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 3.3 m-20 -89.63 133.36 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.433 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.1 p -82.13 134.61 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.1 mm -41.81 -50.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -51.3 -39.5 57.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.321 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 22' ' ' THR . 0.5 OUTLIER -63.03 -42.77 99.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.286 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.11 -51.97 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.354 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -50.51 -42.49 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.297 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.35 89.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -56.83 -41.41 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 mt -63.2 -48.04 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.486 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -54.78 -32.69 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 38.5 t0 -74.9 -26.74 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -81.98 -64.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -84.8 -106.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.03 13.43 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.479 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 53.3 mt -83.44 127.91 66.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.552 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.38 141.58 32.04 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.632 2.221 . . . . 0.0 111.94 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.667 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.63 -50.97 9.69 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.797 2.332 . . . . 0.0 112.028 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.76 9.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.667 ' H ' ' C ' ' B' ' 38' ' ' PRO . 12.3 mt-30 -143.83 54.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -147.32 129.78 15.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.538 HH12 ' CG ' ' A' ' 552' ' ' GLU . 20.6 ttm180 -125.54 109.73 13.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.421 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -98.95 125.17 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -124.78 139.97 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.375 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 80.4 t80 -130.25 176.96 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -38.58 -28.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -86.15 -92.06 0.89 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -146.74 -144.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.376 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -91.83 135.73 33.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -83.98 129.22 34.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.604 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -93.02 159.02 15.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -67.23 162.2 23.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.03 -68.14 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.8 mmt180 -41.37 166.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.586 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -115.22 162.81 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.5 mt -55.08 -40.74 70.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -56.22 -24.12 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.543 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 6.0 m-20 -80.86 26.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 78.8 m-85 -155.41 8.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.626 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 55.59 26.83 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.708 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.95 95.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.414 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -67.47 -156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -90.87 159.15 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.769 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 56.72 28.48 14.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -80.57 132.12 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -89.48 109.4 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.27 125.37 41.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.531 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 105.0 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.3 tp -96.51 134.62 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.3 t -133.2 152.29 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.6 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.9 mp -89.04 166.83 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.505 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 35.1 ttt180 -67.31 167.33 12.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.477 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 6.8 tp -75.88 60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -88.32 -171.9 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 -115.17 4.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.939 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.407 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.67 104.0 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.9 pt -101.67 147.84 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -104.9 139.4 39.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.785 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.68 96.06 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . 0.527 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 32.2 ttmt -80.03 118.94 22.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.776 HG23 ' O ' ' C' ' 11' ' ' LYS . 56.2 p -77.19 142.63 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.173 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.526 HD22 HG13 ' C' ' 70' ' ' VAL . 14.3 tp -39.25 -49.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.528 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.478 HG23 ' O ' ' C' ' 8' ' ' LEU . 31.5 p -156.75 68.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.77 -82.66 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.776 ' O ' HG23 ' C' ' 7' ' ' THR . 0.1 OUTLIER -155.88 167.1 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.657 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.568 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 24.5 m -107.59 102.44 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.37 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -76.23 164.13 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -136.95 121.55 18.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.31 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mt -130.21 141.82 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.847 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -86.86 116.6 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.2 m -130.53 178.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.708 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.619 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 12.4 mt-10 -131.19 144.45 53.55 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.371 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -11.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.83 2.353 . . . . 0.0 112.244 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.8 OUTLIER -96.97 -23.31 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.723 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.619 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -49.14 140.38 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.451 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 4.2 p -95.78 137.07 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.98 -47.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.465 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -50.36 -49.92 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.292 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' OG1' ' C' ' 22' ' ' THR . 2.9 m-20 -56.27 -44.05 79.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.271 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.84 -54.93 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.179 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 79.8 mttt -49.26 -38.19 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -61.0 -47.38 86.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.408 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.05 -32.54 71.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -70.05 -38.86 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -65.07 -35.93 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.22 -21.34 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -85.16 -60.2 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -89.26 -82.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.25 1.31 0.06 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 55.9 mt -73.84 133.65 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.497 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -74.12 142.03 30.26 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.671 2.247 . . . . 0.0 111.898 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.606 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.25 -46.43 16.7 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.773 2.315 . . . . 0.0 112.008 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.69 27.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.606 ' H ' ' C ' ' C' ' 38' ' ' PRO . 58.4 mt-30 -156.96 42.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.402 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 74.9 mt-30 -147.11 111.05 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.575 ' NE ' ' NE2' ' C' ' 49' ' ' GLN . 2.9 tpt180 -103.47 102.14 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.16 115.74 19.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 1.03 HD12 HG21 ' C' ' 70' ' ' VAL . 67.7 mt -117.59 141.35 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -144.33 118.36 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 31.39 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 4.41 85.25 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -106.8 117.32 33.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.575 ' NE2' ' NE ' ' C' ' 42' ' ' ARG . 35.6 tt0 -73.32 130.81 40.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.48 140.03 30.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -92.8 159.05 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.43 162.75 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.67 -52.99 4.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -53.29 153.05 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 14.3 p -92.85 164.47 13.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.8 -37.25 83.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.709 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.402 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 19.8 p -57.1 -23.82 49.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.658 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.53 20.02 0.59 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -148.75 10.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.508 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 55.54 25.81 8.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.5 mt -74.32 93.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.493 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -73.03 -156.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.68 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -91.09 162.6 14.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.763 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 58.19 18.22 5.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.733 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.9 m -69.24 170.18 10.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -126.97 94.96 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.593 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.29 119.99 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -79.83 100.09 7.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.15 101.46 9.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.449 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 1.03 HG21 HD12 ' C' ' 44' ' ' ILE . 1.6 t -101.72 128.67 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.69 159.44 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.806 0.336 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.9 t -45.78 -68.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -45.16 -38.26 5.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.623 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.91 -73.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 21.5 mm -53.36 -16.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.5 -79.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.456 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.54 -45.56 53.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.21 -22.93 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -62.06 -41.82 99.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 495' ' ' ILE . 93.4 mt -87.4 -13.72 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.639 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.54 76.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 499' ' ' GLY . 63.3 m-85 -44.16 -35.51 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.1 -12.07 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -79.83 93.43 1.38 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 2.0 m 64.94 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -78.28 54.67 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -77.91 -170.5 1.92 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 15.34 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -87.66 -52.56 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.288 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 497' ' ' PHE . 50.0 t -43.6 -40.01 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.336 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 508' ' ' LEU . 16.0 mt -77.23 -48.52 17.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.08 -9.6 0.12 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 506' ' ' LEU . 38.8 mt -109.72 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.775 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.41 -36.51 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.3 mt -58.58 -66.01 1.63 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.3 -63.51 0.32 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.644 2.229 . . . . 0.0 111.824 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 64.9 mt -51.91 -19.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -98.61 -26.52 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.538 ' HB1' HD12 ' B' ' 73' ' ' LEU . . . -157.61 62.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.508 ' OG ' HD11 ' A' ' 518' ' ' LEU . 2.0 p -103.98 -0.38 28.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.374 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 63.4 p 50.39 37.07 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -145.6 9.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -164.71 154.27 11.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.637 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.464 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.49 -178.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.96 2.44 . . . . 0.0 111.944 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.471 ' H ' ' CD1' ' A' ' 558' ' ' LEU . 14.0 pt -139.51 40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.67 -47.92 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 85.0 m -84.84 -19.78 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.18 -47.13 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.04 -54.65 40.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.0 mtt -54.62 -45.81 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -60.36 -47.07 87.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 m -44.96 -49.87 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.5 tp -57.91 -59.57 5.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.86 -34.39 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -65.86 -31.05 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.384 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 528' ' ' LEU . . . -73.26 -53.43 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.41 ' ND1' ' N ' ' A' ' 532' ' ' HIS . 0.3 OUTLIER -49.58 -47.15 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.663 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.9 t -64.08 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -73.7 25.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -50.84 -42.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -84.13 -56.33 2.59 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 40.8 p -69.57 -169.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 24.0 p -167.65 170.04 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -158.52 163.22 37.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -89.83 -46.44 4.23 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -31.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.719 0.295 . . . . 0.0 110.592 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 92.1 mt -70.26 -74.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.7 m -43.42 -46.89 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.486 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 20.6 p -47.82 -58.36 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 74.1 p -58.48 -59.42 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.31 -32.06 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.284 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 549' ' ' ASN . 7.1 tpt -75.68 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER -42.92 -24.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.413 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 553' ' ' ARG . 77.1 m-20 -79.95 -53.82 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -49.44 -34.23 16.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.3 mp -85.11 -77.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.04 -43.17 75.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.701 ' O ' ' N ' ' A' ' 555' ' ' ALA . 6.1 ttm180 72.42 -69.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.729 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 38.09 -56.1 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.224 1 C-N-CA 136.215 5.806 . . . . 0.0 104.506 -177.447 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -37.25 -18.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.244 0.545 . . . . 0.0 109.777 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.729 ' N ' ' O ' ' A' ' 554' ' ' THR 0.268 0.8 OUTLIER -4.36 -43.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 161.568 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.731 ' N ' ' O ' ' A' ' 555' ' ' ALA . 14.7 mm-40 5.12 -64.06 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.64 167.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' A' ' 556' ' ' ILE . 20.5 mt -104.27 163.88 12.11 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -141.48 -170.92 3.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 2.9 m 68.45 108.42 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 59.66 104.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.8 p90 -172.88 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.627 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.6 p -71.1 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -52.76 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -52.0 -48.47 64.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.5 tp -49.55 -40.96 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -59.54 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 14.8 mt -46.48 -44.45 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -55.65 -69.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -43.44 -24.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.63 -73.6 1.13 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.4 mm -64.44 -5.46 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.462 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.459 HD23 ' CE2' ' A' ' 574' ' ' TYR . 32.2 tp -43.23 -67.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 573' ' ' LEU . 67.9 m-85 -81.64 -155.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.2 tpt -165.94 142.09 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 52.38 -169.34 0.65 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 50.74 -162.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -173.42 -31.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -43.7 -47.96 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.584 ' H ' ' NE2' ' A' ' 580' ' ' GLN . 3.9 mp0 -57.67 -47.89 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.64 -53.55 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 12.7 m-20 -47.27 -38.98 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.477 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.88 -54.78 40.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 41.2 t -52.21 -62.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.9 mp -46.67 -49.3 19.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -44.53 -42.2 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 0.2 OUTLIER -62.99 -49.89 72.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 64.9 mt -46.08 -47.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -60.52 -30.86 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -57.45 -62.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 23.7 mm -78.01 81.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 55.08 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 0.1 OUTLIER -163.67 76.82 1.71 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.473 ' C ' ' N ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.18 -167.76 0.46 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.96 2.44 . . . . 0.0 111.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.481 ' O ' ' N ' ' A' ' 597' ' ' SER . 15.9 ptt? -47.39 -13.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.473 ' N ' ' C ' ' A' ' 594' ' ' PRO . 5.6 m -48.39 -11.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 595' ' ' MET . 67.7 m -48.06 -42.77 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.73 -42.88 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.47 -48.71 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -45.95 -50.43 14.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.33 -50.42 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.32 -63.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.41 -18.52 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -75.51 -71.75 1.12 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 64.8 m -43.82 -37.74 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.9 t -78.87 127.75 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.53 115.84 22.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 pt -117.97 154.57 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.75 142.24 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.632 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.48 105.63 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -88.4 127.18 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.486 ' C ' ' H ' ' B' ' 9' ' ' THR . 34.8 p -93.03 152.26 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.454 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.09 9.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.557 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.486 ' H ' ' C ' ' B' ' 7' ' ' THR . 23.8 p -98.55 -43.93 6.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.75 24.94 0.57 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -125.35 136.42 53.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -112.45 125.68 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.407 HG21 HD13 ' B' ' 13' ' ' ILE . 3.9 mt -107.55 132.1 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.582 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.7 m -101.76 113.37 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.28 166.9 10.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -121.96 102.55 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' B' ' 56' ' ' LEU . 8.5 m -127.18 -163.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.456 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.0 OUTLIER -140.46 178.12 1.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.097 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -75.19 -27.54 9.64 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.803 2.335 . . . . 0.0 112.142 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.79 18.28 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.739 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.39 136.94 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -85.86 144.78 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.51 -41.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.88 -43.62 77.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.37 -38.96 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.36 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.49 -54.56 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -50.32 -41.69 51.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.239 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.09 92.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.65 -38.13 77.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 mt -65.32 -42.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.306 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.78 -41.7 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.25 -28.62 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.364 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -75.6 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.49 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -97.59 -99.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.82 29.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.464 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 74.9 mt -101.0 101.9 17.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.655 0.264 . . . . 0.0 110.533 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.38 140.12 8.66 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -63.13 0.35 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.733 2.288 . . . . 0.0 112.056 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 15.2 t70 -37.97 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' B' ' 38' ' ' PRO . 14.1 mm100 -103.95 64.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -157.27 150.7 23.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.548 ' NH2' HD22 ' A' ' 551' ' ' LEU . 45.5 ttp180 -141.68 103.43 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.6 mt -97.37 129.71 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -135.36 145.25 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 87.3 t80 -130.78 170.28 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.557 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.87 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.49 -71.38 1.28 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -172.4 -156.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.39 130.03 35.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.17 127.27 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -76.64 159.01 30.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.97 64.47 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . -174.95 -57.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.7 mmt85 -47.13 176.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.0 p -115.41 167.3 10.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.559 ' CD1' HG21 ' B' ' 17' ' ' VAL . 82.4 mt -68.75 -13.17 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 17.0 p -81.01 -28.46 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.44 -37.8 83.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -86.99 14.9 6.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 49.07 37.1 9.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.4 mt -82.7 107.39 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -84.34 -156.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.763 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -86.39 159.67 19.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 55.94 37.07 28.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.703 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.9 m -100.14 136.43 40.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -88.5 137.86 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -126.21 119.83 28.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -70.91 132.61 45.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.729 ' C ' HD23 ' B' ' 69' ' ' LEU . 5.9 tt -124.06 119.63 30.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.65 ' N ' HD23 ' B' ' 69' ' ' LEU . 3.3 t -124.28 153.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.603 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 22.0 mt -120.43 148.67 43.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.5 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 71' ' ' LEU . 72.6 mtp180 -44.87 172.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.28 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.793 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.5 mm? -41.26 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.469 ' NH2' ' CA ' ' C' ' 47' ' ' GLY . 45.9 ttt-85 61.24 136.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.31 156.77 21.89 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.792 0 CA-C-O 118.056 -1.413 . . . . 0.0 110.964 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.25 112.92 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.413 HD12 HD12 ' C' ' 67' ' ' LEU . 14.3 pt -115.62 148.42 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.642 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -102.18 148.21 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' C' ' 13' ' ' ILE . 77.4 t -124.83 95.41 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.171 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -83.43 130.5 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.925 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 67.8 p -92.06 147.29 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.675 HD11 HG13 ' C' ' 70' ' ' VAL . 87.9 mt -32.11 -49.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.612 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.517 HG23 ' O ' ' C' ' 8' ' ' LEU . 23.8 p -157.52 22.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.408 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . 0.528 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -96.46 -106.01 2.26 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.579 ' N ' ' OG1' ' C' ' 7' ' ' THR . 27.0 mtpt -129.9 172.28 11.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 83.0 m -111.08 82.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.211 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -68.43 139.77 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.57 ' C ' HD12 ' C' ' 15' ' ' LEU . 17.2 m -112.81 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.57 HD12 ' C ' ' C' ' 14' ' ' THR . 11.1 mp -109.35 161.59 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.75 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -114.97 106.97 14.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.4 m -131.18 -162.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.781 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.43 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 2.2 mt-10 -140.27 176.45 2.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.076 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.39 -25.41 11.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.735 2.29 . . . . 0.0 112.213 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.59 -1.53 58.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.764 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.49 141.85 50.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -88.66 141.25 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.74 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 22.8 mm -45.89 -56.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.41 -42.16 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' C' ' 29' ' ' LYS . 8.5 t-20 -61.25 -46.66 89.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.122 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.0 -50.34 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.156 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -53.97 -32.95 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.19 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -65.09 -50.97 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.281 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' C' ' 25' ' ' ASN . 51.3 mttp -57.07 -38.79 73.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.342 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 mt -65.12 -38.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -62.69 -39.55 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -69.59 -23.65 63.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -81.93 -60.37 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -89.56 -93.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.67 23.48 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.577 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 34.5 mt -96.1 101.73 9.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.698 0.285 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.96 140.92 6.62 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.697 2.265 . . . . 0.0 111.825 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.19 -36.55 17.01 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.796 2.331 . . . . 0.0 111.954 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -76.28 19.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.68 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' C' ' 38' ' ' PRO . 40.9 mm-40 -143.55 -1.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 86.2 mt-30 -98.26 145.99 26.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.61 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 8.7 ttt180 -143.99 101.18 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.4 113.93 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.65 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.96 HD12 HG21 ' C' ' 70' ' ' VAL . 35.1 mt -113.03 133.83 57.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.443 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -144.89 138.4 26.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.548 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.95 22.96 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.469 ' CA ' ' NH2' ' B' ' 74' ' ' ARG . . . 84.18 -7.39 71.74 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -100.57 128.18 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.526 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 24.0 tt0 -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.04 115.94 21.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -78.04 158.37 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.96 165.24 24.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.26 -31.73 4.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.35 178.56 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 62.4 p -122.42 165.05 16.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.559 ' CD1' HG21 ' C' ' 17' ' ' VAL . 96.1 mt -66.25 -4.8 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 7.5 t -90.76 -21.3 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' C' ' 58' ' ' ASP . 1.7 m-20 -81.62 13.05 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -139.52 9.14 2.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 m120 56.37 23.26 7.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.7 mt -69.8 91.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.397 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.6 -160.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -80.61 156.13 26.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.679 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 62.45 33.48 16.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.764 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 38.6 m -90.25 132.04 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.469 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.99 108.68 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.413 HD12 HD12 ' C' ' 3' ' ' ILE . 13.9 mt -97.39 119.7 36.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -77.29 103.69 7.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 tp -79.14 111.12 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.485 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.96 HG21 HD12 ' C' ' 44' ' ' ILE . 1.9 t -118.8 127.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.513 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.572 HD12 ' N ' ' C' ' 71' ' ' LEU . 9.7 mp -73.54 165.11 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.545 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 24.0 t -66.52 -51.82 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -57.21 -35.66 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -58.2 -59.46 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.02 -31.3 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 7.5 tp -54.83 -70.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.31 -36.26 57.19 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 7.2 tp -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.402 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.28 96.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.9 mm -77.12 -8.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -76.77 -70.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 48.9 p90 -81.27 25.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -51.04 -64.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.01 83.86 0.85 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 28.2 t -155.4 -62.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm 54.8 75.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 44.2 t30 -119.14 -176.07 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.484 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.1 p30 -88.5 -2.65 58.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -88.75 -53.31 4.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.406 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.4 t -40.67 -43.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.549 ' C ' ' H ' ' A' ' 508' ' ' LEU . 39.3 mt -77.64 -48.6 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.548 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.25 -6.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' A' ' 506' ' ' LEU . 4.2 tp -118.0 -55.87 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -39.76 95.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 513' ' ' ALA . 14.5 tp -56.85 -62.1 5.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.82 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.575 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.97 -62.49 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.383 2.055 . . . . 0.0 111.591 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 83.1 mt -44.76 -25.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -78.31 -46.01 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.48 ' CB ' HD12 ' B' ' 73' ' ' LEU . . . -148.47 54.46 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.0 OUTLIER -79.69 14.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 515' ' ' SER . 68.8 p 51.32 57.18 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.595 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 518' ' ' LEU . 55.6 t0 -166.38 -111.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.632 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.619 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -35.86 154.3 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.77 -175.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.894 2.396 . . . . 0.0 112.021 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.8 pt -119.95 24.1 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.71 -62.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.9 m -68.66 -23.31 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.09 3.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -69.72 -57.82 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.1 mtt -57.98 -46.32 85.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.47 -49.01 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.8 m -64.4 -19.68 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -70.88 -66.75 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -55.01 -30.41 59.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.3 tt -61.65 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.47 -28.93 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.22 -58.31 7.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.31 -45.32 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.94 23.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 531' ' ' ALA . 10.4 p -61.78 -36.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -64.18 -100.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.2 t -59.01 -168.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.599 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.505 ' N ' ' OG1' ' A' ' 537' ' ' THR . 84.4 m -148.39 179.43 7.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -156.65 175.73 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 544' ' ' THR . . . -93.52 -52.88 1.92 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -41.58 -59.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.09 -51.37 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 544' ' ' THR . 7.4 m -62.85 -72.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 543' ' ' THR . 45.7 p -22.44 -56.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.821 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 p -59.83 -56.92 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -51.07 -51.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.41 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.508 ' N ' HG22 ' A' ' 546' ' ' ILE . 6.3 tpt -55.45 -44.33 76.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -56.93 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 553' ' ' ARG . 6.9 m120 -54.3 -55.64 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -41.71 -38.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.98 -73.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.62 ' CD ' HH22 ' B' ' 42' ' ' ARG . 59.5 mm-40 -47.34 -54.7 10.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.728 ' O ' ' N ' ' A' ' 555' ' ' ALA . 8.4 mmt-85 85.48 -73.63 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 1 N-CA-C 99.944 -4.095 . . . . 0.0 99.944 165.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.735 ' O ' ' N ' ' A' ' 556' ' ' ILE . 93.9 m 15.03 -72.3 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.204 -1.56 . . . . 0.0 109.705 168.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -24.31 -30.56 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.878 -0.729 . . . . 0.0 111.185 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -9.41 -40.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 165.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 555' ' ' ALA . 19.0 mm-40 6.45 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.74 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.725 ' N ' ' O ' ' A' ' 556' ' ' ILE . 1.3 tt -130.22 105.84 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.433 ' N ' HD23 ' A' ' 558' ' ' LEU . 42.4 mtmt -76.05 -115.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.563 HG22 ' H ' ' A' ' 561' ' ' ASP . 1.1 m 60.73 -143.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 560' ' ' THR . 30.6 t0 -59.76 92.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -173.52 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.47 -30.56 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 567' ' ' ALA . 67.3 ttt-85 -73.95 -71.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -45.43 -55.35 6.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 55.0 tp -46.34 -49.9 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 564' ' ' ARG . . . -46.11 -55.05 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.525 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 568' ' ' LEU . 12.6 mt -52.17 -44.51 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.19 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.39 -22.48 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -78.39 -69.89 1.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.39 -23.76 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.9 tp -45.33 -60.14 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.32 -177.91 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.599 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 39.1 mtm -114.15 -84.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -174.23 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -46.07 169.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.316 . . . . 0.0 110.595 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.737 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 77.69 32.51 45.74 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 578' ' ' GLY . 25.1 pt-20 34.21 25.03 0.0 OUTLIER 'General case' 0 C--O 1.194 -1.828 0 O-C-N 122.03 -0.688 . . . . 0.0 110.998 172.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.737 ' N ' ' O ' ' A' ' 578' ' ' GLY . 57.8 mt-30 -60.44 -62.15 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 126.033 2.083 . . . . 0.0 110.567 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.69 -39.71 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.528 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -51.0 -40.62 58.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.48 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 10.3 t70 -69.25 -69.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 59.3 t -45.85 -55.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.7 tp -47.06 -38.65 11.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.43 -46.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.549 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.6 m -55.9 -57.75 10.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 75.6 mt -43.01 -40.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 25.1 p -72.6 -31.84 65.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.66 -48.79 58.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 591' ' ' ILE . 1.7 mp -89.99 151.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.282 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -38.37 148.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 7.4 p80 -138.61 75.45 37.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.41 -71.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.908 2.405 . . . . 0.0 111.919 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -94.45 -14.78 24.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.57 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 22.2 m -76.24 -21.37 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.7 t -46.36 -25.45 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.44 -42.43 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 83.2 mt -71.96 -22.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.1 -45.94 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.61 -39.97 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 tp -60.4 -73.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -47.41 -27.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.38 -34.55 32.05 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.1 m -59.35 -49.38 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.581 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 15.9 t -86.31 118.98 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.33 109.54 21.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.629 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -102.01 151.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.699 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -105.68 149.64 26.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.642 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.82 106.87 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.92 139.8 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -119.41 143.2 47.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.442 HD12 ' N ' ' B' ' 8' ' ' LEU . 11.2 mp -57.62 -12.38 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -84.03 13.4 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.8 69.73 1.25 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -169.48 131.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.658 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -108.45 128.28 54.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.463 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.89 129.91 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -106.96 119.26 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.359 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -124.73 141.37 52.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.3 115.38 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.76 170.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.705 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.621 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 26.9 mm-40 -125.4 150.3 67.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.67 -22.34 1.13 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.888 2.392 . . . . 0.0 112.228 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -85.78 -21.54 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.8 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.621 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.9 m-20 -50.98 138.88 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.477 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.5 p -95.57 137.29 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' B' ' 22' ' ' THR . 33.9 mm -39.43 -50.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -51.76 -39.56 58.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.338 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 22' ' ' THR . 12.7 t30 -62.87 -45.68 91.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.317 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 t -58.73 -44.19 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -57.01 -42.44 80.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.273 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.33 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.76 -42.61 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.47 -36.16 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.431 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -63.52 -41.38 98.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.1 -26.96 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -79.64 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -85.62 -90.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 160.82 14.5 0.03 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.488 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 59.7 mt -85.06 110.25 27.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.709 0.29 . . . . 0.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.488 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.68 137.26 12.16 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.697 2.265 . . . . 0.0 111.922 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.57 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.69 -41.97 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.802 2.335 . . . . 0.0 111.959 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' B' ' 39' ' ' ASP . 1.4 m-20 -69.69 26.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.57 ' H ' ' C ' ' B' ' 38' ' ' PRO . 20.3 mt-30 -155.4 53.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.547 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -148.22 146.24 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.62 HH22 ' CD ' ' A' ' 552' ' ' GLU . 14.1 mtp180 -138.66 99.72 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.5 127.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' B' ' 45' ' ' PHE . 33.7 mt -124.76 153.99 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 52.8 t80 -139.05 170.0 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.29 -27.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.07 -88.89 0.73 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -146.93 -146.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -90.87 139.11 31.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.48 131.13 35.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -96.47 159.11 15.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.14 25.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.34 -62.93 4.55 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -43.16 161.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.423 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 27.9 p -110.53 164.97 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.39 -10.88 27.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.488 ' C ' ' H ' ' B' ' 59' ' ' TYR . 79.4 p -82.28 -32.14 29.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.559 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.84 19.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' B' ' 57' ' ' SER . 72.3 m-85 -141.15 -2.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 t30 67.33 20.86 9.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.39 113.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -89.69 -157.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.71 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -88.63 159.76 17.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 52.47 31.69 10.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.587 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.9 m -92.42 140.04 29.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -82.47 144.43 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.52 112.51 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.48 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 38.1 m80 -66.86 153.21 44.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.305 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 tp -142.47 118.71 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.732 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 t -117.16 152.17 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -115.77 134.04 55.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' B' ' 74' ' ' ARG . 39.2 ttp180 -45.25 169.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.897 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.1 mm? -47.43 92.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' B' ' 72' ' ' ARG . 48.1 ttt-85 -86.8 158.09 19.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.59 -155.4 25.07 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 117.994 -1.448 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.439 ' N ' ' O ' ' C' ' 17' ' ' VAL . 20.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -75.12 112.25 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.09 145.53 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -100.66 130.96 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.8 t -113.13 97.76 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.3 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -82.71 120.65 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.662 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.48 ' O ' ' N ' ' C' ' 9' ' ' THR . 72.6 p -75.75 170.16 16.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.116 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.647 ' C ' HG23 ' C' ' 9' ' ' THR . 9.5 tp -67.76 63.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.235 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.647 HG23 ' C ' ' C' ' 8' ' ' LEU . 1.7 p 64.76 72.39 0.44 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -170.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.01 -43.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' C' ' 12' ' ' THR . 30.4 tttm 179.47 158.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 110.705 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 8.7 m -113.8 104.84 12.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.68 135.36 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.489 ' C ' HD22 ' C' ' 15' ' ' LEU . 6.7 m -104.2 101.47 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 -176.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.678 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.7 mm? -96.12 130.22 43.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -90.8 88.8 7.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.152 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.5 m -113.52 -161.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 18.2 mt-10 -148.2 152.85 40.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.275 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -46.82 13.48 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.899 2.399 . . . . 0.0 112.287 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.472 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.29 -47.26 86.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.879 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 2.0 m-20 -33.65 143.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -96.54 149.05 22.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.91 -55.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.429 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -44.42 -47.99 9.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 0.2 OUTLIER -56.13 -48.75 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.87 -52.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.228 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -51.5 -31.23 23.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -68.25 -46.31 70.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.41 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.25 -34.88 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.29 -42.12 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.0 -34.4 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.488 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' C' ' 32' ' ' ASP . 21.0 t0 -73.62 -33.07 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -74.07 -64.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -83.63 -100.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.51 10.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -81.27 124.55 80.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.65 0.262 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.06 140.48 31.34 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.6 2.2 . . . . 0.0 112.032 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.613 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.5 -50.56 10.2 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.018 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -57.35 3.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.613 ' H ' ' C ' ' C' ' 38' ' ' PRO . 5.2 mt-30 -139.02 43.44 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -132.91 158.31 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -152.17 97.67 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.573 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -80.62 104.25 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.839 HD12 HG21 ' C' ' 70' ' ' VAL . 23.1 mt -108.3 121.3 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 73.4 t80 -115.64 176.62 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.69 -51.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -88.67 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.464 ' HZ3' ' NH2' ' B' ' 74' ' ' ARG . 38.7 mttm -146.53 -149.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.42 141.34 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.48 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.4 mt -88.44 115.47 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -75.42 158.42 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.08 158.26 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.07 -59.36 3.89 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 14.5 mmt180 -48.24 166.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.704 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.1 p -106.78 165.1 11.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.613 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' C' ' 17' ' ' VAL . 81.9 mt -64.34 -19.35 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.505 ' C ' ' H ' ' C' ' 59' ' ' TYR . 92.0 p -75.39 -29.22 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . 0.492 ' O ' ' CD2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -73.29 28.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.564 ' C ' HD22 ' C' ' 60' ' ' ASN . 83.1 m-85 -156.16 5.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . 0.566 HD22 ' N ' ' C' ' 60' ' ' ASN . 0.6 OUTLIER 58.35 32.69 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.675 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -81.15 91.54 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -77.32 -157.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -81.85 159.62 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 57.8 31.07 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.66 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -83.11 131.79 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.84 102.67 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.88 121.6 37.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -79.5 102.33 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.37 101.35 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.5 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.839 HG21 HD12 ' C' ' 44' ' ' ILE . 2.1 t -104.27 153.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -93.97 156.51 16.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 487' ' ' SER . 56.6 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.763 0.316 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . 0.409 ' N ' ' OG ' ' A' ' 486' ' ' SER . 26.8 m -45.89 -33.83 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.81 43.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.72 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.3 mm -62.8 -47.37 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -47.34 -69.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.54 -59.74 7.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 5.0 tp -45.18 -37.28 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.528 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -60.19 -67.03 2.34 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 24.6 pt -63.31 1.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 0.0 110.673 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -82.91 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.608 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 39.9 p90 -81.76 20.09 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -37.53 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.692 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.08 120.51 6.23 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 45.0 p -169.8 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 501' ' ' LYS . 11.8 mptt 48.01 79.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -143.83 157.49 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.15 7.14 22.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 41.0 tt0 -95.81 -55.44 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.351 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.6 t -43.2 -39.13 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 508' ' ' LEU . 9.7 mp -85.08 -47.89 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -47.01 -8.25 0.02 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 506' ' ' LEU . 32.6 mt -123.3 -58.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.54 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.554 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 17.8 tp -63.72 -61.86 6.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.772 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.554 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.04 -53.27 6.53 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.402 2.068 . . . . 0.0 111.465 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.7 mt -47.91 -36.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.289 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.69 -33.66 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.295 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.65 ' HB1' HD12 ' B' ' 73' ' ' LEU . . . -168.33 78.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.572 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 511' ' ' PRO . 59.8 p -93.01 35.27 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.412 . . . . 0.0 110.089 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.1 OUTLIER 66.73 7.13 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.259 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' O ' ' A' ' 518' ' ' LEU . 3.5 m-20 -159.47 -152.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.456 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.532 ' O ' ' O ' ' A' ' 519' ' ' PRO . 28.2 mt 59.01 143.78 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.686 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.532 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -47.12 -167.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.857 2.371 . . . . 0.0 112.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.541 ' CG2' ' HB1' ' A' ' 555' ' ' ALA . 17.3 pt -133.09 35.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.618 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -92.79 -80.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 t -71.43 -29.59 65.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 526' ' ' ALA . . . -46.75 -51.82 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.42 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.522 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.4 mmt -50.03 -38.05 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.544 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 523' ' ' ALA . . . -59.06 -42.41 90.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.534 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.9 t -59.97 -30.91 69.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.48 -24.03 60.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.33 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.55 -33.98 70.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.533 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.32 -60.63 2.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -50.8 -44.6 58.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 535' ' ' VAL . 76.6 t -67.75 -70.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.577 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.39 25.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -46.14 -27.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -91.04 -102.39 1.26 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.61 110.44 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.63 -158.85 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -158.85 177.23 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 544' ' ' THR . . . -80.78 -49.99 5.45 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -44.05 -62.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 73.4 mt -48.19 -44.97 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 546' ' ' ILE . 92.7 m -67.34 -75.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 543' ' ' THR . 73.2 p -20.93 -56.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 543' ' ' THR . 26.9 p -60.58 -53.25 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -58.2 -54.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.173 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.55 ' N ' HG22 ' A' ' 546' ' ' ILE . 11.7 tpt -52.69 -37.16 58.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.402 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.7 OUTLIER -64.59 -51.79 60.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.4 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -48.67 -36.6 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.293 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -66.89 -58.76 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.524 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.9 mp -72.26 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.706 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 553' ' ' ARG . 27.9 tp10 -39.78 -42.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 552' ' ' GLU . 6.9 mmm-85 30.07 92.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.838 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -163.84 -27.01 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.034 0 CA-C-O 124.793 2.235 . . . . 0.0 115.652 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.613 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.25 1.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 111.652 -2.522 . . . . 0.0 109.016 171.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.838 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.8 OUTLIER -46.21 -4.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.401 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.616 ' C ' ' O ' ' A' ' 556' ' ' ILE . 4.8 mp0 -20.41 -46.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.731 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.648 ' N ' ' O ' ' A' ' 556' ' ' ILE . 68.2 mt -114.99 -148.92 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.476 ' O ' ' OG1' ' A' ' 560' ' ' THR . 84.4 mttt -157.05 -96.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.703 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 52.47 -100.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.53 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.437 ' H ' ' HG1' ' A' ' 560' ' ' THR . 4.2 p30 -171.19 143.57 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -179.15 -11.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.24 -33.78 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.52 -71.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -50.13 -37.57 34.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.76 -39.22 87.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -61.04 -56.2 23.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.0 mt -47.22 -54.27 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.36 -64.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 48.9 tp -45.1 -24.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -83.19 -77.72 1.09 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.4 tt -52.01 -13.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.2 tp -44.74 -70.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -70.11 -156.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 3.1 ptm -157.71 -0.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 82.92 133.48 2.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -162.39 -37.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.314 . . . . 0.0 110.54 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.738 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . -166.66 91.23 0.1 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.309 1.684 . . . . 0.0 117.309 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 578' ' ' GLY . 34.7 mt-10 26.89 30.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.188 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 578' ' ' GLY . 44.4 tt0 -58.76 -45.57 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.86 -38.96 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.8 OUTLIER -53.38 -49.37 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.571 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.584 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 37.8 t70 -63.27 -67.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 84.4 t -41.86 -53.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 37.0 tp -51.27 -35.84 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 583' ' ' ASP . 7.2 tt0 -59.63 -35.86 75.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.464 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.9 m -71.37 -51.61 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -46.83 -27.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 m -92.38 -19.01 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.33 -18.91 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 592' ' ' GLU . 3.8 tp -97.94 152.32 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 591' ' ' ILE . 7.6 mm-40 -60.23 -140.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.531 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 10.4 m170 50.03 48.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.36 -15.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.012 2.474 . . . . 0.0 111.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 593' ' ' HIS . 11.4 mmt -59.05 -9.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 11.4 t -79.08 -3.77 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 67.5 m -45.66 -46.32 14.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.83 -40.87 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 15.6 mt -78.58 -28.54 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.22 -39.48 92.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.46 -37.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -60.91 -66.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.09 -37.44 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.61 -31.27 77.21 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 26.6 t -78.48 -58.14 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 39.3 t -79.91 119.5 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -92.8 111.3 22.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -104.12 151.42 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.22 143.13 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 92.1 t -123.21 102.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -85.54 139.61 31.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.525 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.9 p -113.9 155.01 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 8' ' ' LEU . 22.9 mt -65.9 7.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.525 ' H ' ' C ' ' B' ' 7' ' ' THR . 70.0 p -101.93 -5.51 24.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 4.33 68.66 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -97.97 134.16 41.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -114.4 132.55 56.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.487 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 13' ' ' ILE . 4.2 mt -117.76 131.36 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -106.53 123.86 48.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.431 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -130.36 146.16 51.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.87 0.367 . . . . 0.0 110.79 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.87 125.06 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.44 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -147.05 167.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.771 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.652 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.3 mt-10 -125.11 148.67 61.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.355 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.62 -19.46 0.46 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.816 2.344 . . . . 0.0 112.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.3 9.19 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.75 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.652 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.7 m-20 -91.18 142.97 27.17 Favored 'General case' 0 N--CA 1.505 2.282 1 N-CA-C 97.492 -5.003 . . . . 0.0 97.492 -163.182 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 33.3 p -92.42 142.19 27.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 33.7 mm -45.27 -46.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -53.4 -40.27 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -61.98 -46.72 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.179 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.45 -51.0 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.256 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -52.09 -36.16 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.207 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.06 91.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -61.15 -35.8 78.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.372 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -70.67 -34.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.487 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -67.31 -32.8 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -78.76 -23.21 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -83.97 -58.31 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -89.06 -86.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 5.52 0.05 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.458 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 58.3 mt -78.59 132.26 65.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.301 . . . . 0.0 110.483 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.37 139.69 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.688 2.259 . . . . 0.0 111.864 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.57 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.56 -47.93 14.69 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.774 2.316 . . . . 0.0 112.058 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 3.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.57 ' H ' ' C ' ' B' ' 38' ' ' PRO . 16.6 mm100 -139.69 62.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -155.84 137.78 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 ttp-105 -127.0 105.55 8.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.399 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.44 127.46 43.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -128.15 146.33 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.426 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 71.1 t80 -132.24 177.35 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.36 -37.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.23 -90.72 0.16 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -147.66 -144.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -89.65 133.86 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.56 135.21 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -99.38 159.23 15.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.97 147.44 51.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 98.62 -65.63 0.73 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.2 mmm180 -41.05 166.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.761 0.315 . . . . 0.0 110.684 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.2 p -110.04 171.13 7.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.05 -23.21 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -76.14 -20.3 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -80.61 9.19 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -138.13 15.24 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m120 55.02 25.9 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.702 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -76.56 97.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.47 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -78.74 -157.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -84.81 157.47 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.09 31.49 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -88.34 132.83 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.08 127.3 35.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.97 120.78 40.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.584 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 46.5 m80 -72.93 139.09 46.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.484 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.728 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.4 tt -121.74 127.33 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.457 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.728 ' N ' HD23 ' B' ' 69' ' ' LEU . 18.9 t -130.41 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.516 ' CD1' HD21 ' B' ' 69' ' ' LEU . 3.5 mp -124.84 153.6 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 71' ' ' LEU . 36.3 mtp180 -47.16 177.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.503 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.702 HD22 ' N ' ' B' ' 73' ' ' LEU . 3.6 mm? -50.38 103.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.484 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.508 ' CZ ' HG21 ' A' ' 544' ' ' THR . 68.6 mtt180 -70.25 114.06 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.65 39.45 3.12 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.059 -1.412 . . . . 0.0 110.934 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.475 ' N ' ' O ' ' C' ' 17' ' ' VAL . 23.5 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -95.02 113.17 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -114.52 144.91 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -96.5 146.71 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' C' ' 13' ' ' ILE . 79.2 t -128.58 94.41 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 83.1 mttt -81.92 120.84 25.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.53 ' OG1' ' CA ' ' C' ' 10' ' ' GLY . 64.4 p -77.55 148.47 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.551 ' O ' HG23 ' C' ' 9' ' ' THR . 1.1 mt -32.73 -49.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.447 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.551 HG23 ' O ' ' C' ' 8' ' ' LEU . 24.2 p -158.59 34.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.386 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . 0.53 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -112.26 -109.19 3.0 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.498 ' N ' ' OG1' ' C' ' 7' ' ' THR . 23.3 mtpt -123.56 171.6 9.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 0.0 110.914 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.424 HG23 ' CG ' ' C' ' 6' ' ' LYS . 19.7 m -108.87 86.52 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -72.62 141.77 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.513 ' C ' HD22 ' C' ' 15' ' ' LEU . 28.2 m -114.9 109.26 17.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.699 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.6 mm? -97.96 133.48 42.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -91.44 88.51 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.219 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.602 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.1 m -111.88 -162.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.04 177.6 2.0 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.993 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.14 -25.54 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.775 2.317 . . . . 0.0 112.328 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -0.89 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.21 141.82 45.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.675 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -90.33 147.23 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.7 mm -49.58 -46.34 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -51.89 -46.84 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.38 -38.98 81.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.96 -52.17 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -51.73 -41.47 61.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.358 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.339 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -55.63 -36.91 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.78 -45.61 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.331 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -55.93 -40.51 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.47 78.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.373 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -71.16 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -84.86 -88.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.414 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 167.26 5.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.414 ' H ' ' H ' ' C' ' 35' ' ' GLY . 61.3 mt -80.38 130.63 64.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.0 110.515 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.56 143.26 34.02 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.619 2.213 . . . . 0.0 111.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.21 -63.83 0.3 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.856 2.37 . . . . 0.0 112.005 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -40.75 -21.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.653 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' C' ' 38' ' ' PRO . 29.3 mt-30 -113.8 56.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -151.32 134.72 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -128.75 100.63 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.451 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -81.79 110.8 17.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.598 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.758 HD12 HG21 ' C' ' 70' ' ' VAL . 16.4 mt -109.88 133.97 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -138.69 133.08 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.13 34.71 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.45 49.23 39.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -157.92 120.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.34 129.15 37.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.56 125.93 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -69.14 158.22 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.08 103.66 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.522 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.1 -56.53 0.47 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.422 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 32.7 mmt-85 -49.46 175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.532 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.454 ' C ' ' H ' ' C' ' 57' ' ' SER . 31.0 p -115.87 161.59 18.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.602 ' CD1' HG21 ' C' ' 17' ' ' VAL . 68.8 mt -65.84 3.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.454 ' H ' ' C ' ' C' ' 55' ' ' THR . 6.5 t -96.38 -26.42 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.83 -39.77 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.02 10.34 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 54.73 29.22 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.44 98.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -82.58 -165.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -74.25 158.97 33.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 59.68 30.29 19.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.739 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -84.84 129.93 34.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.6 m -88.1 115.12 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.712 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.05 118.17 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -79.56 102.92 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.556 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.27 102.19 11.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.758 HG21 HD12 ' C' ' 44' ' ' ILE . 3.0 t -102.19 140.51 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.629 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.13 161.25 17.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 22.8 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.693 0.282 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 30.4 t -54.53 -51.81 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -69.13 -19.5 64.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -68.48 -60.95 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.35 -35.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.549 ' C ' HD23 ' A' ' 491' ' ' LEU . 2.7 tt -54.27 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.13 -63.02 4.92 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.54 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 4.3 tp -43.67 -43.33 5.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.629 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.49 -49.34 65.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.5 pt -86.8 7.79 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.76 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -86.28 -56.87 3.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.54 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 43.2 p90 -87.92 21.55 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.32 -62.59 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -97.77 66.92 0.8 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 97.0 p -172.33 98.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.541 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -85.61 57.45 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 504' ' ' GLU . 21.8 m120 -72.91 124.29 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.18 -3.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 502' ' ' ASN . 47.8 mt-10 -88.87 -56.76 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 41.6 t -41.86 -34.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.374 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' A' ' 508' ' ' LEU . 9.0 tp -81.45 -51.23 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.478 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -57.06 2.29 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.573 ' H ' ' C ' ' A' ' 506' ' ' LEU . 69.1 mt -121.23 -52.02 2.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.08 -42.06 89.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.5 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 11.5 tp -56.99 -62.37 5.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.774 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.59 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -45.79 -50.37 9.68 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.534 2.156 . . . . 0.0 111.753 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.414 HG12 HD21 ' C' ' 8' ' ' LEU . 77.5 mt -57.51 -23.1 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -79.69 -33.61 40.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -155.69 56.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.2 OUTLIER -68.47 -10.2 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 515' ' ' SER . 0.2 OUTLIER 80.45 54.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.742 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.464 ' OD1' ' OG ' ' A' ' 515' ' ' SER . 0.4 OUTLIER 173.85 -82.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 518' ' ' LEU . 1.2 pt? -41.78 165.86 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.628 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.98 145.28 28.04 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.869 2.379 . . . . 0.0 111.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 555' ' ' ALA . 17.2 pt -91.01 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.597 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -74.4 -38.16 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -17.93 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.41 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.32 76.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . 0.534 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.5 mpt? -68.45 -47.72 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.04 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 61.8 p -48.68 -34.03 11.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -67.65 -66.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.504 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.97 -51.57 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.54 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.3 tt -44.59 -51.34 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.21 -34.37 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -51.94 -40.94 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 95.0 t -77.62 -48.7 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.549 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 537' ' ' THR . 30.9 m-85 -78.79 16.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 536' ' ' GLY . 11.4 p -49.09 -40.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.498 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -71.47 -81.77 0.29 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 10.1 t -72.15 -168.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.425 ' N ' ' OG1' ' A' ' 537' ' ' THR . 22.9 p -160.21 -178.59 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -154.62 173.24 16.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 544' ' ' THR . . . -89.81 -52.49 2.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.67 -33.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 543' ' ' THR . 79.8 mt -72.94 -81.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 542' ' ' ILE . 18.2 m -38.75 -44.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 540' ' ' GLY . 40.6 p -52.15 -58.03 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.6 p -59.45 -54.8 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.243 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -35.07 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.144 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.3 tpt -77.89 -37.82 47.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.297 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' B' ' 72' ' ' ARG . 62.0 m-20 -50.7 -28.61 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.194 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.63 ' O ' ' N ' ' A' ' 553' ' ' ARG . 17.1 m-20 -87.35 -58.12 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.471 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -43.58 -19.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 549' ' ' ASN . 27.7 mt -98.76 -81.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.481 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 554' ' ' THR . 5.2 mt-10 -64.05 -7.47 8.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.72 ' O ' ' C ' ' A' ' 554' ' ' THR . 17.6 mmt180 53.95 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.734 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.4 OUTLIER 35.54 -121.11 0.13 Allowed 'General case' 0 CA--C 1.555 1.143 1 N-CA-C 98.313 -4.699 . . . . 0.0 98.313 -179.547 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.716 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 5.5 63.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.651 -167.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.734 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -115.13 11.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.609 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -71.63 18.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 556' ' ' ILE . 1.1 pt? -69.92 -176.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -147.77 1.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 1.8 t -161.58 178.78 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.441 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.1 m-20 -51.13 159.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -174.78 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -52.37 -22.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -61.86 -71.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -56.52 -45.41 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 23.7 tp -46.64 -43.07 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.451 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.61 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 38.8 tp -45.78 -38.76 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -64.71 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.41 -17.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -86.23 -77.82 1.22 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.419 ' HA ' HD12 ' A' ' 572' ' ' ILE . 10.2 tp -50.91 -23.24 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.54 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -40.13 -61.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.674 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -83.88 117.42 23.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -46.6 164.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -51.57 144.12 16.31 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 576' ' ' GLY . 44.1 tt0 59.76 127.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.572 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 155.39 104.17 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.21 -10.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.485 ' H ' ' C ' ' A' ' 578' ' ' GLY . 11.5 tp60 -47.43 -35.37 8.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.05 -40.88 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.07 -31.62 69.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.546 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 40.9 t0 -72.45 -73.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.619 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 34.4 t -43.11 -46.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.65 -38.31 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -57.96 -48.37 80.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 5.0 m -52.85 -56.44 15.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -44.87 -35.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 58.2 p -85.66 -19.37 31.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.542 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.06 -36.11 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.4 tt -89.31 163.65 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -61.83 -137.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 50.3 m80 49.71 73.63 0.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 -24.12 12.21 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.002 2.468 . . . . 0.0 111.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.422 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.8 tpt -49.33 -38.62 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 43.6 p -60.78 -4.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.3 t -44.44 -30.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.53 90.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 17.8 mt -77.05 -36.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.554 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.12 -37.1 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -78.89 -47.28 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.92 -54.53 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.0 -57.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.98 -26.89 2.23 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -78.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.557 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 23.9 p -82.93 126.99 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.523 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -125.53 109.22 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.436 HD12 HD22 ' B' ' 67' ' ' LEU . 19.3 pt -104.46 159.16 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.746 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -116.1 159.02 22.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.491 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.4 t -136.21 109.59 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -90.85 127.85 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -105.13 146.14 29.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.58 -6.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -90.37 24.36 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.67 76.02 0.22 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -173.76 156.45 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -135.46 131.49 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.493 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -114.06 127.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.7 m -101.84 118.76 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -126.55 148.05 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.723 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' B' ' 16' ' ' GLU . 23.9 mp0 -92.28 124.35 36.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.9 m -147.5 169.68 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.641 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 20.8 mt-10 -124.92 152.54 70.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.252 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.47 ' O ' ' OG ' ' B' ' 57' ' ' SER . 2.9 Cg_endo -44.99 -31.36 5.38 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.079 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -28.57 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.641 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.4 m-20 -45.22 135.62 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.73 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 7.4 p -92.62 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.503 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -42.83 -46.32 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -53.93 -42.17 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 0.7 OUTLIER -61.13 -47.15 87.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.26 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.36 -53.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.265 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' B' ' 41' ' ' GLN . 50.2 mttm -50.58 -35.48 30.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.24 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -63.98 -45.7 87.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.222 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -34.23 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.61 -35.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.465 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -71.46 -31.16 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -76.57 -64.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.5 -88.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.04 4.69 0.04 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 47.3 mt -80.07 134.49 56.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 0.0 110.513 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.96 144.24 34.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.647 2.231 . . . . 0.0 111.983 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.62 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.47 -50.96 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.865 2.377 . . . . 0.0 112.041 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 22.0 m-20 -65.63 28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.62 ' H ' ' C ' ' B' ' 38' ' ' PRO . 51.2 mt-30 -158.01 49.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.508 ' O ' ' NZ ' ' B' ' 27' ' ' LYS . 72.8 mt-30 -147.14 137.18 23.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -122.85 104.65 9.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.459 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 mt -100.34 131.64 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.549 HG22 ' N ' ' B' ' 45' ' ' PHE . 82.6 mt -132.68 161.7 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.462 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 63.4 t80 -154.14 175.25 13.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.624 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.81 -38.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.92 -90.95 0.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -149.28 -142.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -94.3 138.72 31.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.414 ' N ' HD23 ' B' ' 50' ' ' LEU . 7.8 mt -87.09 109.31 19.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.621 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.84 158.7 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.527 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.62 146.62 54.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 97.27 -67.51 0.84 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' B' ' 53' ' ' GLY . 18.6 mmt180 -41.34 165.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.635 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 29.8 p -109.95 164.51 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 56' ' ' LEU . 92.0 mt -60.27 -28.08 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.7 m -69.78 -39.42 76.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.6 -39.3 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -90.61 11.67 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 m120 55.5 28.11 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.5 mt -72.74 114.14 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -86.17 -161.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -87.62 160.54 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.718 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 55.93 30.56 16.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -82.77 129.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -88.07 92.02 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.685 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.436 HD22 HD12 ' B' ' 3' ' ' ILE . 7.7 mp -73.51 170.56 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.438 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.546 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 61.7 m80 -129.01 110.25 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.301 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -93.07 146.77 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.775 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.8 t -148.57 144.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.78 144.73 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.436 ' C ' ' OD2' ' A' ' 548' ' ' ASP . 24.6 ptt85 -61.14 -169.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.904 HD22 ' H ' ' B' ' 73' ' ' LEU . 2.2 mm? -63.15 153.58 33.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -150.05 -131.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.2 82.59 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.936 -1.48 . . . . 0.0 110.958 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ttp . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.5 111.87 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.39 148.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -101.92 150.72 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' C' ' 13' ' ' ILE . 85.3 t -131.23 91.47 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . 0.407 ' CG ' HG23 ' C' ' 12' ' ' THR . 73.6 mttt -76.51 115.86 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.729 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.806 HG23 ' O ' ' C' ' 11' ' ' LYS . 69.6 p -72.86 142.11 47.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.181 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.631 ' O ' HG23 ' C' ' 9' ' ' THR . 16.4 tp -37.02 -48.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.472 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.631 HG23 ' O ' ' C' ' 8' ' ' LEU . 19.4 p -160.69 71.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.387 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.4 -81.21 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.806 ' O ' HG23 ' C' ' 7' ' ' THR . 18.6 tttp -153.59 165.08 37.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.701 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.74 ' N ' ' HG2' ' C' ' 11' ' ' LYS . 14.0 m -104.24 96.36 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' C' ' 5' ' ' VAL . 1.4 mt -78.26 148.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -123.71 128.22 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.278 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -128.9 139.24 52.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.891 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.65 96.92 10.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.307 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' C' ' 56' ' ' LEU . 11.0 m -113.09 -166.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -131.97 173.83 5.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.74 -20.61 15.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.795 2.33 . . . . 0.0 112.343 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -93.61 -11.81 30.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.786 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.64 137.44 56.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.432 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 2.7 p -86.86 156.06 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -57.03 -51.25 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -52.25 -38.75 59.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.432 ' OD1' ' OG1' ' C' ' 22' ' ' THR . 3.9 m-20 -63.46 -41.94 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.19 -48.12 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.154 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -53.21 -42.57 66.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.123 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.86 95.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.239 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -58.04 -37.17 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 mt -67.69 -42.67 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.408 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.55 -33.85 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.3 -30.53 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -74.64 -60.53 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -90.8 -106.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.53 11.58 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 67.2 mt -83.27 128.69 63.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.635 0.255 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.2 143.35 35.46 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.59 2.193 . . . . 0.0 111.869 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.603 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -47.17 15.38 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.815 2.343 . . . . 0.0 112.009 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.89 28.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.674 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' C' ' 38' ' ' PRO . 20.6 mt-30 -156.46 44.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.512 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -145.32 158.03 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -149.37 99.8 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.56 107.01 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.603 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.966 HD12 HG21 ' C' ' 70' ' ' VAL . 48.4 mt -107.49 141.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.417 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -152.05 128.0 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.66 28.37 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.38 24.47 63.2 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -130.32 117.42 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 110.579 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -80.6 135.1 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.98 130.65 35.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -84.72 157.73 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.04 100.45 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 150.11 -64.92 0.39 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.6 mmt-85 -43.62 170.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 57' ' ' SER . 53.5 p -115.58 162.71 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' C' ' 17' ' ' VAL . 75.8 mt -64.27 3.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.97 -38.2 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -62.04 -39.02 90.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -82.3 6.01 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 54.9 36.06 25.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 59.7 mt -80.87 99.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -77.17 -157.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.774 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -87.31 162.18 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 55.39 33.26 20.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.663 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -84.94 167.89 15.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.418 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -123.05 106.87 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.616 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.55 118.63 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.523 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -78.4 97.67 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.73 108.97 13.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.966 HG21 HD12 ' C' ' 44' ' ' ILE . 2.0 t -111.77 141.95 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.591 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -89.41 161.76 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.855 0.36 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.5 p -57.56 -50.21 73.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.89 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -53.85 -68.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.1 mm -54.22 -30.9 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.485 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.7 tt -60.37 -62.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.501 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.47 -59.64 6.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.5 mp -58.68 -27.43 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.66 -61.3 7.64 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.77 -22.5 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.614 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.38 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 34.9 m-85 -47.62 -42.85 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.505 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 12.46 36.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.5 t -145.97 -70.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.8 tttp 48.6 67.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.668 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -131.54 170.54 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.42 -4.65 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.54 -39.44 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.111 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 26.7 t -49.28 -63.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.24 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.538 ' CD2' HD21 ' A' ' 530' ' ' LEU . 14.1 mt -61.01 -41.65 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.457 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -38.75 -35.78 0.39 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 507' ' ' GLY . 10.4 mp -109.7 -40.6 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.828 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 509' ' ' LEU . 2.0 tt -62.21 -51.53 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.584 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.2 tp -44.33 -65.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.891 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.584 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.23 -61.15 0.65 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.321 2.014 . . . . 0.0 111.728 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.767 HD11 ' OG1' ' C' ' 9' ' ' THR . 88.7 mt -42.23 -20.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -92.65 -39.61 11.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -166.35 70.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.739 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.499 ' C ' ' OG1' ' A' ' 516' ' ' THR . 2.3 m -65.17 -41.53 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.349 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.499 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.0 OUTLIER 175.24 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.481 ' CG ' ' NH1' ' C' ' 72' ' ' ARG . 18.6 t0 -165.53 72.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.1 mt -128.28 152.32 77.79 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.99 161.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.812 2.342 . . . . 0.0 111.974 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 558' ' ' LEU . 3.0 mt -101.97 -4.88 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.55 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -39.13 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.57 -53.62 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -42.77 -67.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.0 mmt -44.31 -49.28 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.98 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.6 p -47.49 -22.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -73.54 -68.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.01 -26.69 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 530' ' ' LEU . 3.3 tt -65.97 -59.35 3.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.8 -45.91 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.35 -54.85 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.2 t -65.96 -60.75 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.522 ' CE2' HD11 ' A' ' 506' ' ' LEU . 59.5 m-85 -75.9 27.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.475 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -62.9 -32.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.628 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.08 -70.97 1.28 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 537' ' ' THR . 0.0 OUTLIER -89.2 117.61 28.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.589 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.437 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 20.1 p -88.06 -170.85 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 82.6 m-20 -158.32 -179.66 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 544' ' ' THR . . . -93.49 -57.12 1.38 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.47 -26.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.587 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.427 ' C ' ' N ' ' A' ' 544' ' ' THR . 54.0 mt -80.8 -71.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.7 m -47.72 -17.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 540' ' ' GLY . 39.2 p -84.94 -49.58 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 77.3 p -66.25 -45.51 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.207 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 547' ' ' MET . 1.5 mt -59.66 -53.58 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.464 ' N ' HG22 ' A' ' 546' ' ' ILE . 89.4 mmm -59.48 -37.79 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.276 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.9 OUTLIER -64.79 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.264 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.557 ' C ' HD22 ' A' ' 549' ' ' ASN . 0.2 OUTLIER -66.65 -45.27 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.257 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.65 -59.39 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.497 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 551' ' ' LEU . 9.5 mp -62.75 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.608 ' HG3' ' OG1' ' A' ' 554' ' ' THR . 9.5 tp10 -42.07 -65.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.402 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 556' ' ' ILE . 4.1 tpp180 80.41 -40.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.046 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.747 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.3 m -21.07 -40.78 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.652 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -46.39 -5.21 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.747 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.4 OUTLIER -32.88 -24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.138 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.657 ' C ' ' O ' ' A' ' 556' ' ' ILE . 57.4 mm-40 -9.39 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.699 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 556' ' ' ILE . 86.8 mt -121.91 170.69 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.323 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -158.19 18.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.766 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 21.5 p -89.25 99.18 12.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 55.64 101.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.437 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 15.1 p-90 -162.09 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.2 p -46.08 -19.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 562' ' ' TRP . 70.8 mtp85 -72.54 -75.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -53.07 -31.54 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.54 -70.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.77 9.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.68 -56.19 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -46.64 -62.15 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 55.2 tp -44.09 -24.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.548 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.17 -67.97 1.54 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 18.9 pt -63.06 -9.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.4 tp -48.74 -26.53 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -138.0 96.15 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 64.7 mtp -88.85 41.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . 168.09 177.94 39.63 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 577' ' ' GLN . 2.0 mp0 48.51 99.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -80.78 -19.97 66.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -54.57 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.528 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -45.78 -53.98 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.84 -48.9 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -44.52 -40.09 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.474 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.47 -54.89 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 23.0 t -45.21 -58.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.8 mt -48.01 -35.3 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -57.35 -37.06 72.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.3 m -73.97 -43.58 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.358 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . 0.415 HG13 ' H ' ' A' ' 588' ' ' ILE . 10.8 mt -59.23 -36.36 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 47.4 m -69.46 -43.27 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.36 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 592' ' ' GLU . 19.6 tt -79.53 159.23 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 591' ' ' ILE . 37.2 mt-10 -46.28 174.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.443 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.6 m80 -135.67 53.58 8.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.72 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.74 -82.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.913 2.409 . . . . 0.0 111.868 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 597' ' ' SER . 32.5 ttm -106.23 -35.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 t -44.24 -24.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 595' ' ' MET . 36.7 t -41.2 -39.23 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.33 -64.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 74.2 mt -41.96 -48.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.555 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -46.85 -50.25 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.29 -51.45 48.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 602' ' ' LEU . 3.9 mm? -55.71 -69.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.9 t -47.12 -33.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.48 -44.9 96.33 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 5.2 t -61.05 -37.05 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.41 -169.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -84.06 116.13 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -113.26 147.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.481 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.03 136.39 44.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.02 107.77 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.162 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -90.71 129.42 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.485 ' C ' ' H ' ' B' ' 9' ' ' THR . 4.7 p -109.71 146.08 35.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 8' ' ' LEU . 72.3 mt -48.8 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.485 ' H ' ' C ' ' B' ' 7' ' ' THR . 4.5 p -81.33 3.08 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -3.23 59.17 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.04 139.33 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -112.57 158.93 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -139.49 136.64 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.756 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -101.31 130.77 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.98 130.22 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.796 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -89.02 99.11 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.501 HG21 ' CD1' ' B' ' 56' ' ' LEU . 18.1 m -126.52 -166.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.756 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.496 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 2.0 mm-40 -136.98 178.51 1.69 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.169 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.83 -27.19 10.58 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.744 2.296 . . . . 0.0 112.188 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.05 0.46 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.4 m-20 -72.93 137.62 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.533 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -87.49 141.49 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mm -46.18 -51.63 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -49.06 -41.85 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.299 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -42.4 97.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.239 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.42 -51.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.249 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -49.72 -40.62 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.222 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -58.93 -36.94 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.95 -46.83 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.318 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -54.5 -33.22 59.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 32' ' ' ASP . 51.6 t0 -75.49 -33.26 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -71.73 -60.23 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -92.62 -87.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 167.48 3.75 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.446 ' H ' ' H ' ' B' ' 35' ' ' GLY . 63.6 mt -73.02 129.3 86.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.633 0.254 . . . . 0.0 110.522 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.92 141.75 30.53 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.655 2.237 . . . . 0.0 111.956 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.01 -65.41 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.852 2.368 . . . . 0.0 112.068 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.5 m-20 -37.87 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' B' ' 38' ' ' PRO . 5.5 mt-30 -105.61 60.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -153.45 134.27 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.696 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.505 HH21 HG11 ' B' ' 70' ' ' VAL . 6.9 mtm180 -128.78 103.76 7.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.24 123.47 37.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.3 mt -121.21 145.27 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.615 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 79.2 t80 -154.77 177.71 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.615 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -46.54 -14.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -104.29 26.76 21.86 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 45' ' ' PHE . 39.2 tttt 69.22 -150.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.307 . . . . 0.0 110.623 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -76.15 128.14 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.49 126.72 33.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -90.0 158.43 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.67 163.13 28.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.22 -56.92 4.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 15.4 mmt180 -45.92 173.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -121.91 160.36 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.501 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.1 mt -61.85 -10.08 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.4 p -86.67 -35.68 19.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -59.12 -41.58 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.41 4.68 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 60.95 23.76 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -67.91 99.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -78.9 -157.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -83.92 161.16 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 55.75 34.11 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.3 m -88.45 131.82 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -93.89 105.33 17.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.512 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -91.61 127.31 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -83.19 97.93 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.607 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -85.3 150.33 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.696 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.505 HG11 HH21 ' B' ' 42' ' ' ARG . 42.1 t -144.1 153.87 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.437 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.1 mp -105.25 167.74 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.645 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' B' ' 73' ' ' LEU . 28.6 ttp180 -63.22 168.26 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.436 HD12 ' C ' ' B' ' 73' ' ' LEU . 1.3 tp -71.17 46.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' B' ' 72' ' ' ARG . 25.2 ptt180 -68.93 -173.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.93 80.07 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.011 -1.439 . . . . 0.0 110.934 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -86.36 108.95 18.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 10.5 pt -113.08 150.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.08 142.68 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' C' ' 13' ' ' ILE . 93.8 t -125.27 94.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.287 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -76.87 120.6 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.763 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.606 HG23 ' O ' ' C' ' 11' ' ' LYS . 67.1 p -67.81 144.68 55.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' C' ' 7' ' ' THR . 0.8 OUTLIER -28.56 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.595 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.767 ' OG1' HD11 ' A' ' 512' ' ' ILE . 0.2 OUTLIER -172.96 64.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.405 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.27 -101.41 0.22 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.606 ' CG ' ' N ' ' C' ' 12' ' ' THR . 15.0 tttt -118.1 166.38 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.606 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.3 m -110.94 108.38 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.45 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' C' ' 5' ' ' VAL . 5.5 mt -86.98 141.52 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -114.22 124.23 51.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.329 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -120.0 134.41 55.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -88.12 73.67 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.4 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' C' ' 56' ' ' LEU . 6.5 m -91.05 -168.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.576 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.6 mt-10 -143.62 146.9 37.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.19 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.55 -28.04 3.96 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.853 2.369 . . . . 0.0 112.39 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.3 22.06 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.887 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.576 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 11.3 m-20 -95.88 134.84 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.553 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -81.83 137.64 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 33.2 mm -45.12 -51.23 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.319 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -48.82 -42.58 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.82 -42.45 97.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.88 -46.13 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.141 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -55.32 -39.82 70.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.253 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.96 85.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.261 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -56.07 -43.89 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.283 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.93 -32.71 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.399 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.57 -31.72 72.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.436 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -79.27 -21.34 46.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -85.76 -58.33 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -93.86 -93.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 24.75 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 45.1 mt -93.3 103.91 10.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.632 0.253 . . . . 0.0 110.493 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -44.7 137.58 8.72 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.664 2.243 . . . . 0.0 111.919 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.0 -41.98 20.76 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.881 2.387 . . . . 0.0 112.08 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.79 26.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.712 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.4 mt-30 -152.28 50.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -149.38 148.25 29.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -142.21 96.96 3.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.431 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.99 108.88 10.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.716 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.919 HD12 HG21 ' C' ' 70' ' ' VAL . 52.4 mt -103.03 124.05 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.383 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 57.2 t80 -127.01 -106.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -61.47 72.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.25 29.46 0.65 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -155.4 156.27 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.585 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -91.28 141.87 28.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.6 115.97 21.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.552 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -68.92 157.7 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -73.03 160.96 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.18 -66.66 3.48 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt85 -42.49 168.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.1 p -112.3 167.76 10.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.54 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.455 ' CD1' HG21 ' C' ' 17' ' ' VAL . 62.8 mt -64.17 -25.7 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.487 ' C ' ' H ' ' C' ' 59' ' ' TYR . 67.4 p -67.32 -29.69 69.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.577 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -73.97 21.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' C' ' 57' ' ' SER . 88.4 m-85 -148.79 9.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 55.81 28.84 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -75.92 96.14 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.36 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.32 -157.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -87.06 160.25 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 57.35 34.01 24.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 29.0 m -86.45 169.53 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.424 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -124.85 119.81 29.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mt -111.33 118.34 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -79.98 95.26 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.25 112.99 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.919 HG21 HD12 ' C' ' 44' ' ' ILE . 6.5 t -110.81 127.27 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' C' ' 72' ' ' ARG . 23.5 mt -67.21 164.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' A' ' 517' ' ' ASP . 47.9 ttt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.7 t -69.79 -42.75 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.62 -15.29 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 6.7 tp -64.82 -31.86 55.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.79 -73.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.27 -38.58 6.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 38.8 tp -64.14 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -47.69 85.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 12.7 tt -82.43 -5.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.45 -81.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER -78.43 31.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.638 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.423 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.62 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 497' ' ' PHE . . . -110.13 128.38 8.83 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.4 t -164.88 -72.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.4 tttp 61.12 64.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -130.36 162.08 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.35 -3.59 57.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -88.27 -47.13 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 509' ' ' LEU . 53.7 t -40.81 -55.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 508' ' ' LEU . 6.6 mp -72.95 -41.28 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -38.2 -24.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 506' ' ' LEU . 7.7 tp -129.12 -42.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.345 . . . . 0.0 110.752 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 505' ' ' VAL . 31.1 tp -61.3 -32.02 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.557 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.4 tp -61.95 -63.02 4.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.673 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.557 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.57 -46.69 17.09 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.349 2.033 . . . . 0.0 111.442 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' C' ' 9' ' ' THR . 89.8 mt -52.1 -34.92 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.249 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -77.33 -36.24 54.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -163.98 83.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.688 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 516' ' ' THR . 74.2 p -90.22 16.57 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 515' ' ' SER . 1.0 OUTLIER 88.29 -0.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.744 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -174.99 70.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.465 ' CD1' ' OG ' ' A' ' 515' ' ' SER . 27.8 mt -144.75 150.3 46.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.444 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.25 170.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.836 2.358 . . . . 0.0 111.959 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 558' ' ' LEU . 16.6 mt -106.55 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.433 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -50.52 -95.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.4 m -40.7 -49.6 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.44 -53.07 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.17 -49.4 52.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.1 mtt -61.09 -55.57 30.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.78 -34.66 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.0 p -58.06 -46.71 84.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.6 tp -57.71 -55.76 30.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.493 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.71 -36.64 7.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.6 OUTLIER -64.67 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.415 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.41 -38.07 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.522 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -57.83 -48.34 80.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.09 -59.35 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -84.69 22.94 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.2 p -49.63 -32.05 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -81.97 -85.55 0.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 60.5 p -65.05 -170.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 95.6 m -151.02 -175.23 5.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 21.0 t-20 -160.49 -179.97 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -99.39 -51.93 1.28 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.486 ' N ' HH21 ' B' ' 74' ' ' ARG . 23.8 m-20 -37.66 -34.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 546' ' ' ILE . 7.1 mt -80.15 -67.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 27.1 m -46.45 -18.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.475 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.517 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 11.8 p -82.11 -51.74 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.9 p -68.76 -46.88 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.177 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 542' ' ' ILE . 2.0 mt -55.2 -55.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.343 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.458 ' N ' HG22 ' A' ' 546' ' ' ILE . 91.7 mmm -59.25 -48.74 80.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.382 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.517 ' OD2' ' O ' ' A' ' 544' ' ' THR . 1.7 m-20 -52.36 -36.83 54.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 553' ' ' ARG . 11.1 t-20 -61.73 -55.76 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.266 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.438 ' CZ ' ' CD2' ' A' ' 566' ' ' LEU . 19.2 m-85 -43.24 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.432 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 551' ' ' LEU . 6.7 mp -90.03 -78.83 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.516 ' OE2' ' NH2' ' B' ' 42' ' ' ARG . 30.0 mm-40 -45.25 -43.12 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.66 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.634 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.0 OUTLIER 65.41 -94.11 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.096 1 N-CA-C 98.63 -4.581 . . . . 0.0 98.63 -179.713 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.1 OUTLIER 55.51 -67.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.263 -168.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.726 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -18.15 -32.29 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 167.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.742 ' O ' ' N ' ' A' ' 558' ' ' LEU . 96.9 mt -1.17 -57.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.273 2.327 0 CA-C-O 115.772 -2.061 . . . . 0.0 110.994 163.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.726 ' N ' ' O ' ' A' ' 555' ' ' ALA . 64.6 mm-40 9.38 -66.69 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 121.829 2.104 . . . . 0.0 111.144 171.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.742 ' N ' ' O ' ' A' ' 556' ' ' ILE . 4.4 mm? -107.71 164.11 12.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.452 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.8 tttp -126.68 -101.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 50.14 -95.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -145.86 158.54 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 31.0 p90 -163.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.635 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.624 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 11.3 p -50.95 -20.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.563 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.55 -75.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.39 -42.44 98.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 550' ' ' PHE . 13.0 tp -52.32 -37.52 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.623 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.19 -55.22 15.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 66.2 mt -45.04 -48.97 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -57.96 -68.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.8 tp -46.57 -23.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -86.52 -77.79 1.23 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.25 -21.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.345 . . . . 0.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 571' ' ' GLY . 20.5 tp -52.52 -57.51 9.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 575' ' ' MET . 65.9 m-85 -92.26 130.63 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 574' ' ' TYR . 31.0 mtm -57.15 -157.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.07 -116.11 0.04 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -59.93 123.42 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -169.11 133.79 2.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.89 -17.87 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.83 -40.91 81.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.68 -39.34 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.1 -32.56 69.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.541 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 15.7 t70 -75.91 -62.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.6 t -49.7 -49.57 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 28.3 tp -53.35 -45.8 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.46 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -49.79 -48.45 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 2.0 m -55.49 -55.04 36.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.442 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 53.9 mt -49.43 -39.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.436 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 9.5 t -74.38 -29.1 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.402 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 47' ' ' GLY . . . -52.91 -57.58 9.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.544 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 592' ' ' GLU . 81.3 mt -81.54 123.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.49 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 591' ' ' ILE . 52.7 mt-10 -42.84 -97.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 595' ' ' MET . 5.3 m-70 40.27 78.11 0.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.68 28.21 0.35 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.004 2.47 . . . . 0.0 112.087 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.413 ' H ' ' C ' ' A' ' 593' ' ' HIS . 16.2 mtt -89.95 -37.77 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 7.3 t -83.31 -2.21 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.7 t -40.09 -31.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.75 -55.73 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.51 -44.52 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -46.01 -55.97 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -55.74 -32.4 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.496 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -72.16 -65.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.66 -26.49 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -70.22 -57.73 6.63 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.9 t -45.71 -43.43 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.514 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.3 m -80.87 -178.2 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -109.55 112.2 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.75 156.04 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.485 ' O ' HD12 ' B' ' 67' ' ' LEU . 60.4 m-85 -113.8 140.1 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.655 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.0 t -118.77 106.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.21 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 583' ' ' ASP . 17.0 ttpt -88.12 137.95 31.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.481 ' O ' ' N ' ' B' ' 9' ' ' THR . 30.9 p -103.96 143.28 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 8' ' ' LEU . 83.0 mt -45.17 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.538 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.481 ' N ' ' O ' ' B' ' 7' ' ' THR . 1.5 p -78.52 -53.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.481 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.415 ' N ' ' OG1' ' B' ' 9' ' ' THR . . . 145.55 0.91 0.79 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -85.68 129.77 34.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -111.01 121.4 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.417 HD13 HG21 ' B' ' 13' ' ' ILE . 2.7 mt -107.15 127.83 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.64 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.483 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 3.6 m -101.8 125.26 48.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.414 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.55 139.13 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.863 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -83.57 113.6 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.117 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -139.39 168.64 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.681 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 68.4 mt-10 -122.45 149.33 54.99 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.272 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -21.4 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.946 2.431 . . . . 0.0 112.427 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -91.9 -18.66 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.681 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 7.5 m-20 -45.11 136.57 4.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 173.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.454 ' O ' ' N ' ' B' ' 25' ' ' ASN . 7.3 p -88.39 134.02 33.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -40.98 -52.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -38.14 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' B' ' 22' ' ' THR . 13.2 t-20 -63.48 -48.3 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.06 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -55.23 -46.44 77.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.128 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.88 -38.12 69.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.55 81.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.76 -40.11 78.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.261 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.85 -37.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -64.71 -35.72 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -69.3 -29.52 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -80.72 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -85.94 -84.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.598 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 151.68 13.02 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.468 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 55.3 mt -83.85 118.82 72.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.682 0.277 . . . . 0.0 110.532 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 136.79 14.49 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.66 2.24 . . . . 0.0 111.847 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.7 -67.44 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.764 2.309 . . . . 0.0 111.992 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -42.8 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 38' ' ' PRO . 53.4 mm-40 -101.91 57.11 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.584 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 69.6 mt-30 -153.07 134.24 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.516 ' NH2' ' OE2' ' A' ' 552' ' ' GLU . 11.6 ttm180 -123.87 106.79 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -102.09 113.52 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -106.91 133.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.268 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.628 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 64.4 t80 -123.6 171.33 9.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.628 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -50.22 83.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 150.89 -82.9 0.18 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -152.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.646 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -101.35 146.22 27.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.14 106.84 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.61 158.58 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 163.67 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 81.09 -68.74 3.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.4 mmt180 -42.59 169.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.295 . . . . 0.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.423 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 71.6 p -116.82 171.27 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.524 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.72 2.18 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 59' ' ' TYR . 80.1 p -90.77 -33.97 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.61 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 0.4 OUTLIER -73.91 24.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.49 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.0 m-85 -148.32 3.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.521 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER 55.68 37.1 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -84.9 108.38 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.464 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -89.01 -170.67 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.666 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -73.32 160.61 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 55.03 26.73 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -85.28 129.75 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.7 m -91.14 134.7 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.485 HD12 ' O ' ' B' ' 4' ' ' PHE . 5.4 mp -117.32 174.77 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.541 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 17.9 m80 -123.82 105.93 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.222 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.4 tp -90.8 138.49 31.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.786 HG12 ' H ' ' B' ' 71' ' ' LEU . 8.9 t -148.25 177.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.338 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.786 ' H ' HG12 ' B' ' 70' ' ' VAL . 1.3 pt? -161.75 155.52 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' B' ' 71' ' ' LEU . 59.9 mtt180 -39.16 167.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.863 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.3 mm? -38.15 108.13 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.486 HH21 ' N ' ' A' ' 541' ' ' ASP . 31.0 ttp180 -79.08 100.97 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.84 -127.03 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . 0.535 ' OXT' ' CG ' ' C' ' 68' ' ' HIS . . . . . . . . 0 C--O 1.221 -0.671 0 CA-C-O 118.062 -1.41 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.457 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -86.92 121.65 29.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.484 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -127.94 147.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.08 150.82 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' C' ' 13' ' ' ILE . 61.0 t -131.9 95.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.337 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . 0.402 ' CG ' HG23 ' C' ' 12' ' ' THR . 70.0 mttt -79.43 122.8 26.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 16.9 p -73.64 141.94 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.883 ' O ' HG23 ' C' ' 9' ' ' THR . 0.6 OUTLIER -31.66 -39.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.5 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.883 HG23 ' O ' ' C' ' 8' ' ' LEU . 0.8 OUTLIER -173.86 71.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.326 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.99 -91.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.576 ' CG ' ' N ' ' C' ' 12' ' ' THR . 0.4 OUTLIER -133.44 166.7 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.732 -179.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.576 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.6 m -111.13 102.17 10.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' C' ' 5' ' ' VAL . 2.9 mt -83.8 148.29 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -125.59 127.62 46.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -123.86 147.07 47.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.954 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -98.38 86.44 3.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.252 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.568 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.7 m -104.38 -169.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.429 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 76.7 mt-10 -137.68 147.0 55.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.305 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.85 -17.31 0.26 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.86 2.374 . . . . 0.0 112.382 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -101.59 22.36 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 2.9 m-20 -94.25 132.52 38.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.47 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -81.55 141.87 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 mm -45.6 -53.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.45 -39.21 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.388 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 12.7 t-20 -63.41 -49.78 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.73 -53.17 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.252 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . 0.438 ' HG2' ' HZ3' ' C' ' 27' ' ' LYS . 63.3 mttm -51.94 -34.53 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.282 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -57.39 -33.98 68.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . 0.402 HG21 HD13 ' C' ' 30' ' ' ILE . 13.1 mt -67.84 -41.75 85.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.405 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -61.15 -40.74 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.01 -28.54 68.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.76 -64.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -87.24 -109.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.04 21.62 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.463 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 41.7 mt -96.47 101.9 10.0 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.642 0.258 . . . . 0.0 110.492 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.08 144.43 3.95 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.665 2.243 . . . . 0.0 111.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -61.64 0.57 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.736 2.29 . . . . 0.0 111.972 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -41.82 -34.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.93 55.37 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.743 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.6 mt-30 -153.34 154.46 34.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.47 ' NH2' ' O ' ' A' ' 515' ' ' SER . 34.3 ttp180 -153.33 95.05 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.44 119.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.657 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.872 HD12 HG21 ' C' ' 70' ' ' VAL . 31.9 mt -119.02 140.27 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' C' ' 48' ' ' LYS . 82.1 t80 -147.89 141.75 25.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.52 40.52 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.45 99.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' C' ' 45' ' ' PHE . 58.5 mttp -145.42 119.41 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -75.83 132.46 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.64 119.69 27.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -71.58 158.42 36.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 104.75 13.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 148.86 -62.47 0.42 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.439 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 7.5 mmt-85 -46.53 175.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -115.35 172.63 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' C' ' 17' ' ' VAL . 83.1 mt -68.4 -16.18 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 30.3 p -76.73 -32.63 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -39.9 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.68 23.24 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 p30 40.44 31.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.75 100.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.364 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.39 -164.24 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -78.57 161.25 27.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.659 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 57.76 32.78 22.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.611 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -87.13 129.84 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -91.47 92.26 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.05 124.27 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . 0.535 ' CG ' ' OXT' ' B' ' 76' ' ' GLY . 65.0 m80 -83.67 96.44 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 21.4 tp -77.74 114.72 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.872 HG21 HD12 ' C' ' 44' ' ' ILE . 3.4 t -111.95 138.75 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.68 166.75 15.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.598 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.865 0.364 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 27.4 p -48.61 -30.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.44 73.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.41 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 490' ' ' ILE . 9.2 mm -45.49 -46.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.6 tp -45.88 -63.23 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.64 -67.69 1.57 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.544 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.1 mp -43.05 -32.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.524 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -58.62 -63.56 5.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.696 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.7 pp -74.97 8.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -87.87 -72.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.583 ' C ' ' H ' ' A' ' 499' ' ' GLY . 56.2 p90 -81.98 23.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.567 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 499' ' ' GLY . . . -65.65 12.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -40.02 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 58.6 m -170.07 -33.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 110.629 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -164.54 94.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -115.51 131.38 56.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 15.7 p-10 -84.94 -12.3 53.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -80.25 -24.38 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.999 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 497' ' ' PHE . 24.6 t -74.5 -64.21 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.192 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 510' ' ' LEU . 1.7 tp -55.69 -27.81 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -64.93 -61.04 6.17 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 511' ' ' PRO . 65.8 mt -84.67 -46.59 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -50.59 -57.02 9.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.614 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.3 tp -44.23 -65.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.984 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.688 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.69 -63.38 0.33 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.311 2.007 . . . . 0.0 111.785 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.47 -20.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.566 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -87.56 -34.5 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.605 ' C ' ' H ' ' A' ' 516' ' ' THR . . . -153.35 37.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.688 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -58.23 1.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.605 ' H ' ' C ' ' A' ' 514' ' ' ALA . 0.2 OUTLIER 80.34 101.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 516' ' ' THR . 11.2 t0 77.04 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 2.2 pp -173.95 147.71 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.21 110.05 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.798 2.332 . . . . 0.0 111.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.45 HD11 ' O ' ' A' ' 558' ' ' LEU . 6.9 pt -88.46 26.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.78 -38.87 64.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.2 t -101.79 -15.47 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -80.02 -79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 69.9 mtp -45.38 -35.13 3.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.3 -56.83 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 58.6 p -46.53 -42.41 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.57 -51.88 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.564 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.6 -38.95 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.0 OUTLIER -63.69 -46.79 83.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.4 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -58.31 -47.33 84.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 535' ' ' VAL . 95.6 t -78.06 -55.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.77 7.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 536' ' ' GLY . 14.7 p -46.3 -42.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.529 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -76.74 -69.62 1.37 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 89.9 m -82.13 113.27 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.81 -175.05 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -171.65 112.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.36 49.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 544' ' ' THR . 67.6 m-20 -41.67 -37.94 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.708 0.289 . . . . 0.0 110.604 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.44 -46.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 12.8 m -65.87 -46.19 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 19.4 p -46.74 -58.69 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.13 -58.62 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.341 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -30.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.4 tpt -73.88 -50.73 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -40.09 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.37 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 553' ' ' ARG . 5.0 t30 -70.67 -58.14 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -40.59 -30.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.652 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.5 -76.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 42' ' ' ARG . 67.6 mm-40 -51.56 -19.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 549' ' ' ASN . 10.2 mmt85 42.21 45.85 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.742 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -87.94 -152.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.52 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 35.36 22.53 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.742 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.1 tp -93.28 2.58 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.67 -11.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 556' ' ' ILE . 21.7 tp -136.09 94.77 3.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.586 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 560' ' ' THR . 95.0 mttt -84.82 140.92 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 54.4 m -169.2 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.528 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 560' ' ' THR . 68.5 m-20 -158.39 124.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.589 ' CZ2' HD11 ' A' ' 556' ' ' ILE . 10.4 p-90 -167.01 -30.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.623 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 97.3 t -45.67 -38.14 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -57.8 -76.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -50.96 -50.41 58.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 44.2 tp -46.16 -50.5 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.86 75.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.38 -52.36 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -52.05 -64.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.1 tp -49.86 -11.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -91.47 -76.21 1.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 7.0 tp -50.45 -25.24 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.623 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -41.33 -72.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.437 ' CZ ' ' NE2' ' A' ' 580' ' ' GLN . 66.2 m-85 -75.5 121.46 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 6.1 mmt -79.29 -55.87 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -127.67 -150.05 7.28 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 54.9 67.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -54.31 -33.54 52.85 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.37 -51.05 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.6 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.437 ' NE2' ' CZ ' ' A' ' 574' ' ' TYR . 0.1 OUTLIER -44.76 -56.18 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.6 t -49.27 -51.87 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -40.93 -44.11 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.88 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 17.2 t70 -62.02 -50.95 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 91.2 t -50.54 -56.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 44.0 mt -45.96 -46.27 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.27 -44.92 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.5 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 3.7 m -59.6 -66.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.64 -46.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 t -67.24 -34.08 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.513 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -47.67 -44.72 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.478 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 592' ' ' GLU . 93.4 mt -90.61 155.84 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 591' ' ' ILE . 61.7 mt-10 -60.21 -116.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.563 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.2 OUTLIER 44.8 74.7 0.75 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 4.8 4.67 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.959 2.439 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.13 -22.03 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 6.9 p -82.03 -4.0 55.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 82.0 p -43.18 -49.67 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -48.44 -38.12 18.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.1 mt -73.09 -49.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -45.61 -43.29 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.01 -38.05 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.3 tt -58.12 -67.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.77 -34.94 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.93 95.1 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 6.1 t -61.93 -52.8 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.0 m -80.37 121.27 25.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.602 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.56 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.459 ' O ' ' OE2' ' B' ' 64' ' ' GLU . 96.5 mt-30 -99.82 105.32 17.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -96.51 145.71 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -102.18 131.02 48.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 t -111.88 107.55 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.217 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.407 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 22.4 ttpt -85.79 134.36 33.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.687 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.517 ' C ' ' H ' ' B' ' 9' ' ' THR . 16.4 p -111.7 145.58 39.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.03 -5.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.517 ' H ' ' C ' ' B' ' 7' ' ' THR . 16.1 p -88.26 -5.78 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.02 -7.26 81.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -89.97 141.05 29.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.5 m -117.41 144.23 45.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mt -123.71 141.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.576 ' C ' HD22 ' B' ' 15' ' ' LEU . 3.0 m -109.22 112.91 25.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.888 HD22 ' N ' ' B' ' 15' ' ' LEU . 1.7 mm? -109.2 126.88 53.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.92 86.34 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.5 m -113.44 170.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.735 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 45.0 mm-40 -127.22 151.7 74.92 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.11 -26.14 2.11 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.873 2.382 . . . . 0.0 112.366 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 22.33 7.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.765 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.735 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.0 m-20 -94.06 137.37 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.543 ' OG1' ' ND2' ' B' ' 25' ' ' ASN . 2.5 p -86.48 143.63 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.63 -41.45 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.97 -41.1 77.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.451 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.672 HD22 ' N ' ' B' ' 25' ' ' ASN . 0.8 OUTLIER -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.39 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.32 -51.6 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.399 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -53.08 -42.33 65.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.76 76.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -55.64 -38.04 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.347 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.47 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.382 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.66 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.85 -30.83 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -74.97 -63.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -85.24 -87.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 163.85 6.77 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.0 mt -79.68 135.61 56.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.297 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.38 139.22 25.77 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.696 2.264 . . . . 0.0 111.971 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.611 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.28 -45.72 18.07 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.744 2.296 . . . . 0.0 112.075 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.9 22.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.611 ' H ' ' C ' ' B' ' 38' ' ' PRO . 61.2 mt-30 -154.07 50.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -149.3 143.1 25.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' A' ' 552' ' ' GLU . 37.0 ttm105 -134.23 108.62 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.09 128.37 46.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.631 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -125.98 134.48 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.9 t80 -117.33 175.28 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.587 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.49 -29.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.42 -89.58 0.66 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -146.58 -149.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.543 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.1 137.48 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -87.68 111.27 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 1.3 mp0 -79.99 157.67 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.24 147.74 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 100.3 -68.94 0.5 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -43.28 166.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.684 0.278 . . . . 0.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.439 ' HG1' ' HG ' ' B' ' 57' ' ' SER . 40.5 p -112.69 174.46 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.636 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.05 -15.39 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.439 ' HG ' ' HG1' ' B' ' 55' ' ' THR . 5.7 p -80.5 -15.98 55.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.647 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.2 -4.72 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.53 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -120.09 11.23 11.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.684 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 55.94 27.42 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -76.36 119.09 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -93.72 -165.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.97 157.8 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.459 ' OE2' ' O ' ' B' ' 2' ' ' GLN . 5.0 mm-40 57.9 24.37 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.574 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.8 m -77.24 130.69 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 m -90.88 106.5 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -93.49 169.75 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.88 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 7.9 m80 -117.8 108.23 15.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.392 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -94.36 142.4 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.46 127.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.12 161.06 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -57.48 -161.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.806 HD22 ' N ' ' B' ' 73' ' ' LEU . 2.8 mm? -71.71 85.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.431 ' CZ ' ' OD1' ' A' ' 541' ' ' ASP . 56.8 ttt180 -55.74 103.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.4 48.7 1.22 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.759 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.921 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -85.03 112.8 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.3 pt -118.63 152.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.641 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.445 ' CE1' ' OG1' ' C' ' 14' ' ' THR . 96.4 m-85 -107.27 147.78 29.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.1 t -131.79 95.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.7 120.99 24.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.942 HG23 ' O ' ' C' ' 11' ' ' LYS . 30.1 p -74.36 142.59 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.139 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.578 HD22 HG13 ' C' ' 70' ' ' VAL . 18.8 tp -43.45 -41.59 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.296 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.567 HG23 ' O ' ' C' ' 8' ' ' LEU . 24.1 p -159.19 60.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.244 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . 0.597 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -144.93 -82.34 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.942 ' O ' HG23 ' C' ' 7' ' ' THR . 0.1 OUTLIER -164.63 169.14 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.404 . . . . 0.0 110.799 -179.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.499 ' N ' ' HG3' ' C' ' 11' ' ' LYS . 24.2 m -97.07 108.94 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.509 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.29 137.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.725 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' C' ' 4' ' ' PHE . 78.2 m -111.09 122.02 46.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -121.74 135.7 54.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.757 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -88.58 78.35 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' C' ' 56' ' ' LEU . 5.0 m -95.87 -170.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.478 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 31.6 mt-10 -141.25 145.94 40.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.349 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.43 -24.2 2.54 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.861 2.374 . . . . 0.0 112.34 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.9 6.06 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 12.3 m-20 -86.6 141.7 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -173.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.4 p -91.38 136.78 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.554 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.2 mm -39.37 -54.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -48.15 -44.18 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.425 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 35.9 t-20 -58.11 -48.43 80.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -55.41 -53.83 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -48.69 -35.99 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.239 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.75 -49.94 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.244 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.71 -31.86 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.52 -46.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.86 -39.1 57.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -67.45 -62.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.01 -97.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.16 6.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 44.2 mt -78.88 126.96 81.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -73.43 144.66 36.77 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.585 2.19 . . . . 0.0 111.94 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.608 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.43 -48.3 13.76 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.831 2.354 . . . . 0.0 112.011 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.3 29.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' C' ' 38' ' ' PRO . 63.9 mt-30 -154.1 10.12 0.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 82.8 mt-30 -114.33 155.82 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.533 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -150.19 108.65 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.17 111.81 20.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.799 HD12 HG21 ' C' ' 70' ' ' VAL . 33.6 mt -115.18 123.97 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.512 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -119.32 107.05 12.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.78 25.07 14.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.88 65.03 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -100.77 105.48 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.644 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.28 130.61 41.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.43 131.39 34.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 9.6 mp0 -89.44 158.62 17.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.557 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.2 OUTLIER -70.39 163.23 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.59 -63.5 4.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' C' ' 54' ' ' ARG . 31.0 mmt-85 -46.82 165.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.548 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 54.6 p -111.48 166.83 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' C' ' 17' ' ' VAL . 71.0 mt -65.92 -17.46 64.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.604 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -78.76 -19.77 51.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -82.21 9.84 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -135.87 9.59 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 58.01 27.14 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.619 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -76.72 90.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -76.22 -157.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.665 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -81.15 159.73 24.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 58.52 34.36 23.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.722 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -90.07 129.58 36.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -90.67 115.28 27.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -106.57 121.36 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -81.06 103.65 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.94 119.29 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.799 HG21 HD12 ' C' ' 44' ' ' ILE . 1.6 t -116.87 149.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tp -87.29 157.55 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.656 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 20.6 p -48.51 129.84 16.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' A' ' 486' ' ' SER . 36.5 mtmt -77.8 131.25 37.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.9 pt -46.71 -17.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 484' ' ' LYS . 53.5 p -55.43 -59.99 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . 0.428 ' N ' ' OG ' ' A' ' 486' ' ' SER . 51.2 p -46.73 -47.23 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.71 71.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -64.88 -66.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 15.5 mm -49.01 -39.62 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.58 -48.17 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -60.41 -46.39 94.42 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.9 mp -59.94 -45.58 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.527 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.76 -40.6 72.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 495' ' ' ILE . 71.8 mt -81.88 -10.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.582 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.45 -76.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -87.32 28.21 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.72 -66.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.38 75.6 0.57 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 35.0 t -163.22 94.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -71.91 52.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 503' ' ' ASP . 0.5 OUTLIER -83.69 126.66 33.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.491 ' N ' HD22 ' A' ' 502' ' ' ASN . 49.3 t0 -72.16 5.79 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.688 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -83.67 -66.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.4 t -41.94 -47.4 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.3 -43.06 98.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -60.12 -9.73 12.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 82.9 mt -111.45 -39.57 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.714 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 509' ' ' LEU . 61.3 mt -67.96 -54.4 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.513 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mt -43.12 -64.07 0.83 Allowed Pre-proline 0 C--N 1.331 -0.227 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.433 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.63 -55.59 3.45 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.602 2.202 . . . . 0.0 111.51 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 512' ' ' ILE . 76.3 mt -61.85 -11.0 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.433 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -103.36 -22.1 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' B' ' 73' ' ' LEU . . . -163.19 50.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.726 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.6 p -88.88 9.43 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.6 p 49.1 63.39 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 518' ' ' LEU . 26.1 t70 -173.71 -103.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -34.68 155.09 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.9 Cg_endo -44.83 -175.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.952 2.435 . . . . 0.0 112.129 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.96 9.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 523' ' ' ALA . 89.7 mt-10 -64.12 -88.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.621 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 51.1 p -52.77 -7.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 521' ' ' GLU . . . -71.78 -61.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -45.28 -62.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.4 mtt -43.08 -59.47 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -44.42 -55.15 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 20.3 p -41.28 -45.83 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.624 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 9.0 tp -67.51 -41.13 84.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.0 -52.37 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.35 -53.65 55.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.49 -46.29 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.01 -47.27 83.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.622 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 535' ' ' VAL . 73.2 t -70.11 -65.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.608 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.79 19.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 536' ' ' GLY . 8.3 p -47.06 -42.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.517 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -83.62 -77.61 1.11 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 64.7 m -74.88 110.86 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 20.7 p -89.78 126.14 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.473 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -83.33 -178.59 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 542' ' ' ILE . . . -96.15 -55.68 1.26 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -44.4 -22.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.422 ' N ' ' C ' ' A' ' 540' ' ' GLY . 96.7 mt -77.47 -78.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 4.7 m -42.8 -25.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 548' ' ' ASP . 22.6 p -70.4 -53.84 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.522 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -48.14 71.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.189 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.25 -39.54 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.198 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.473 ' C ' ' H ' ' A' ' 549' ' ' ASN . 19.4 ttm -70.79 -56.17 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.212 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 544' ' ' THR . 27.4 m-20 -54.02 -8.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.265 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 553' ' ' ARG . 5.2 t-20 -87.45 -60.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.191 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -46.58 -25.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.394 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 25.4 mt -90.31 -79.6 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.374 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.515 ' CG ' HH12 ' B' ' 42' ' ' ARG . 15.0 mt-10 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.201 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 549' ' ' ASN . 9.2 ttp180 70.83 -78.43 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.736 ' O ' ' HB ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 54.94 -104.27 0.21 Allowed 'General case' 0 CA--C 1.543 0.682 1 N-CA-C 97.59 -4.967 . . . . 0.0 97.59 -169.607 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.693 ' C ' ' O ' ' A' ' 554' ' ' THR . . . -15.8 82.43 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -165.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.736 ' HB ' ' O ' ' A' ' 554' ' ' THR . 21.0 tt -130.93 -8.66 2.15 Favored 'Isoleucine or valine' 1 C--O 1.123 -5.585 0 C-N-CA 129.131 2.972 . . . . 0.0 110.999 -167.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 556' ' ' ILE . 29.4 mm-40 -34.65 -34.0 0.03 OUTLIER 'General case' 0 C--N 1.364 1.233 1 O-C-N 129.288 4.117 . . . . 0.0 110.429 177.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 556' ' ' ILE . 47.2 mt -148.19 -179.93 7.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 560' ' ' THR . 57.1 tttm -172.46 145.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 29.3 m -167.82 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.466 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 40.5 p-10 -165.02 105.02 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -159.39 -8.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.41 -18.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -71.43 -55.13 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -65.61 -35.96 82.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.39 -55.59 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.65 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.46 -50.97 61.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -51.59 -56.94 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -45.6 -29.14 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -75.22 -66.38 1.92 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.5 pt -67.57 -6.46 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 569' ' ' ALA . 43.1 tp -46.21 -30.86 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -105.41 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 55.1 mtp -70.48 -43.74 69.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 151.72 -81.35 0.18 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -77.1 104.05 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -177.42 123.65 0.9 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -64.63 -6.2 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -50.36 -50.17 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 582' ' ' ASP . 8.5 p -56.45 -43.67 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.553 ' N ' HG13 ' A' ' 581' ' ' VAL . 1.1 m-20 -47.16 -47.1 23.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.29 -50.45 73.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.6 t -46.82 -56.04 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.491 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 68.2 mt -49.58 -35.4 20.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.502 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -60.09 -33.73 72.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 4.4 m -72.17 -45.32 60.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.543 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.74 -30.94 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 30.7 t -80.72 -31.18 36.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.05 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.1 tt -104.72 149.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.08 -134.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.511 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 1.8 m-70 60.94 73.8 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.43 14.65 0.92 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.038 2.492 . . . . 0.0 111.982 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 43.4 mtm -78.95 -38.36 37.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 596' ' ' THR . 0.0 OUTLIER -74.84 -2.43 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 62.5 m -41.34 -52.92 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.7 -41.83 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 602' ' ' LEU . 18.3 mt -67.28 -49.6 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -47.26 -30.96 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 36.2 t -79.36 -30.51 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.499 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -67.8 -67.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.71 -42.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -54.68 -60.52 8.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 23.7 p -45.22 -35.96 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.6 m -82.01 -178.83 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 48.13 -139.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -78.14 177.52 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 59.5 p 49.15 78.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.543 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 171.89 -73.08 0.1 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 55.9 p -54.5 158.08 2.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.941 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.595 ' HB3' ' HB3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -101.95 106.64 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -102.42 151.87 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -104.09 156.85 17.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.2 t -135.21 106.24 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.129 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -92.18 121.26 33.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.631 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p -84.87 161.19 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.72 4.48 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.6 p -93.41 -52.35 4.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.07 57.65 0.02 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -165.72 153.54 10.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.582 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.449 HG22 ' N ' ' B' ' 13' ' ' ILE . 89.9 m -121.03 155.57 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.449 ' N ' HG22 ' B' ' 12' ' ' THR . 0.1 OUTLIER -134.48 129.26 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.666 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.531 ' C ' HD12 ' B' ' 15' ' ' LEU . 17.1 m -97.91 103.4 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.531 HD12 ' C ' ' B' ' 14' ' ' THR . 11.3 mp -108.99 132.2 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -88.12 113.11 23.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.4 m -133.38 -168.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.912 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.1 mt-10 -140.44 179.31 1.29 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.071 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.513 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.4 Cg_exo -74.63 -35.91 3.23 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.738 2.292 . . . . 0.0 112.169 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -76.26 -11.93 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.79 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.2 m-20 -60.43 135.86 57.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.534 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 4.1 p -89.98 136.1 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -41.98 -39.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.342 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.35 -45.02 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.316 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.434 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 2.9 m-20 -60.17 -38.12 82.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.224 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.7 t -63.66 -53.98 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.289 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -49.38 -40.36 35.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.272 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.9 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.324 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -53.67 -36.71 62.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.372 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -67.74 -49.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -52.16 -33.3 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.434 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -74.65 -35.86 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.47 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -68.18 -57.75 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.473 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -95.3 -95.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.71 6.95 0.02 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.466 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 68.5 mt -73.18 129.65 85.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.65 0.262 . . . . 0.0 110.433 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.97 138.29 25.53 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.588 2.192 . . . . 0.0 111.935 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.29 -50.66 9.82 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.749 2.3 . . . . 0.0 112.006 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.71 -3.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.543 ' H ' ' C ' ' B' ' 38' ' ' PRO . 6.1 mt-30 -135.02 68.53 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -152.82 157.63 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.716 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.515 HH12 ' CG ' ' A' ' 552' ' ' GLU . 22.0 ttm180 -151.09 103.78 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 mt -100.07 125.41 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 mt -124.21 142.12 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.257 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.3 t80 -143.23 160.83 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.29 90.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 149.46 -61.88 0.42 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -175.91 -151.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -97.0 145.81 25.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -88.39 117.9 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.59 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -85.31 158.6 20.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.75 152.56 44.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 91.82 -66.33 2.24 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.6 mmt180 -40.89 164.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.648 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -110.54 155.5 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 56' ' ' LEU . 83.8 mt -56.03 -16.86 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.513 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 14.9 m -74.8 -38.34 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -54.48 -41.82 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.651 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -87.58 18.34 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.61 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.408 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 1.6 p-10 42.21 32.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.89 110.84 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.413 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -87.11 -172.07 3.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HB3' ' HB3' ' B' ' 1' ' ' MET . 14.6 ptpt -74.85 161.21 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 58.77 26.46 14.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -86.79 132.01 33.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.502 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -85.29 118.18 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.525 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.45 112.29 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -74.13 106.77 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.5 tp -99.56 133.79 43.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 t -136.91 144.53 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.541 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.7 mp -81.17 167.72 19.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.692 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 61.6 ttt180 -65.44 168.01 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 13.5 tp -79.55 92.69 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -134.62 -152.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.25 128.19 1.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.853 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.453 ' HB3' ' HB3' ' C' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -105.37 105.58 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.626 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 pt -95.98 149.19 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -105.46 148.77 26.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.56 95.71 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.153 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -81.2 130.05 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 1.001 HG23 ' O ' ' C' ' 11' ' ' LYS . 9.7 p -90.63 143.72 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.176 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.594 HD11 HG13 ' C' ' 70' ' ' VAL . 84.6 mt -36.13 -48.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.575 HG23 ' O ' ' C' ' 8' ' ' LEU . 21.6 p -158.96 51.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.377 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . 0.664 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -128.48 -71.48 0.15 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 1.001 ' O ' HG23 ' C' ' 7' ' ' THR . 0.0 OUTLIER -174.84 169.92 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.963 0.411 . . . . 0.0 110.775 -179.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.558 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 11.5 m -103.17 101.42 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 13' ' ' ILE . 1.6 mt -86.53 137.59 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -111.25 127.59 55.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.111 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mt -128.1 135.64 50.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.833 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -85.22 107.34 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.4 m -127.57 -172.45 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 1.6 mt-10 -135.7 178.47 1.74 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.109 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -74.77 -26.49 11.36 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.745 2.297 . . . . 0.0 112.135 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.46 1.18 55.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 5.3 m-20 -73.57 136.06 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -88.85 141.55 28.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.747 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 27.1 mm -45.63 -51.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.349 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -48.73 -42.33 34.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.306 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.487 HD21 ' NZ ' ' C' ' 29' ' ' LYS . 0.2 OUTLIER -60.09 -45.53 92.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.189 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.92 -52.51 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.146 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -50.52 -34.51 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.21 -44.64 83.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . 0.487 ' NZ ' HD21 ' C' ' 25' ' ' ASN . 48.1 mttm -60.14 -34.69 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.39 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mt -70.6 -44.84 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -57.82 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -74.8 -34.42 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -71.45 -62.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -89.46 -108.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.1 12.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 35.2 mt -82.63 121.45 77.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 110.494 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.92 141.91 34.09 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.641 2.227 . . . . 0.0 111.88 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.61 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -46.75 16.07 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -61.43 8.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.61 ' H ' ' C ' ' C' ' 38' ' ' PRO . 2.4 mm100 -141.88 35.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -126.87 171.44 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -172.12 95.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.5 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.68 117.58 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.961 HD12 HG21 ' C' ' 70' ' ' VAL . 48.3 mt -114.79 132.45 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -133.34 128.84 36.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.553 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.67 28.68 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.41 -14.17 55.62 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' C' ' 48' ' ' LYS . 1.4 mptm? -89.13 114.6 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.315 . . . . 0.0 110.616 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -74.31 134.61 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.68 131.89 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -93.28 159.13 15.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.05 157.56 36.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.521 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 92.31 -62.18 2.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 53' ' ' GLY . 25.8 mmt-85 -42.93 168.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 39.1 p -118.69 156.7 28.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.409 ' CD1' HG21 ' C' ' 17' ' ' VAL . 78.6 mt -59.07 -12.69 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -83.57 -30.88 26.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.65 -39.3 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.82 -1.96 57.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.602 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 73.63 1.67 4.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -46.09 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.02 -160.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.692 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' C' ' 1' ' ' MET . 50.0 pttt -80.3 160.2 25.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.768 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 54.01 25.89 5.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.625 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.73 129.84 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -86.65 111.97 21.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.31 125.79 50.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -81.82 105.17 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.18 112.49 15.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.961 HG21 HD12 ' C' ' 44' ' ' ILE . 2.2 t -120.2 155.4 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.734 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 20.9 mt -102.78 163.7 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.385 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . 0.517 HH21 ' NH2' ' C' ' 74' ' ' ARG . 53.0 ttt180 -156.57 156.04 32.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 27.8 tp -173.74 95.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.46 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . 0.517 ' NH2' HH21 ' C' ' 72' ' ' ARG . 13.8 ptp180 -153.18 155.73 37.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.74 98.98 0.15 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.919 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.6 t -168.48 161.49 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.576 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -171.49 -60.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.63 -36.14 63.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 84.2 p -48.09 -43.17 30.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.623 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 67.9 m -64.37 -48.86 73.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -55.73 -29.23 59.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.58 49.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.2 -35.33 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.31 -70.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.518 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -44.41 -39.36 5.63 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 6.7 tp -68.06 -35.92 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 110.507 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.5 -35.31 61.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.83 -16.9 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -64.95 -65.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 45.4 p90 -83.71 27.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.58 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.493 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -94.08 -150.59 27.1 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 15.5 p 43.58 71.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -72.8 53.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.53 -172.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.648 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -101.58 10.43 40.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.427 ' HG3' ' HZ1' ' C' ' 6' ' ' LYS . 71.6 tt0 -91.18 -46.93 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.208 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 16.0 t -41.86 -50.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.383 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 506' ' ' LEU . 9.9 mp -80.29 -36.62 34.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.525 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -62.02 1.7 1.24 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.513 HD11 ' O ' ' C' ' 8' ' ' LEU . 8.8 tp -139.63 -47.49 0.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.622 HD23 ' C ' ' A' ' 509' ' ' LEU . 4.8 tt -65.29 -54.79 23.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.544 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.4 tp -43.21 -62.08 1.52 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.766 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.572 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -47.23 -51.13 9.96 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.356 2.038 . . . . 0.0 111.677 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.8 mt -53.32 -17.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -83.87 -38.4 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.7 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -151.98 50.99 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.721 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -83.91 21.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 63.3 p 50.43 54.4 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.62 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -177.39 -30.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.602 ' N ' ' CD2' ' A' ' 518' ' ' LEU . 2.6 mm? -85.45 141.78 37.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -46.89 -172.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.746 2.297 . . . . 0.0 111.915 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.655 HD11 ' O ' ' A' ' 555' ' ' ALA . 59.3 mt -104.88 -29.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -64.23 -68.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 32.0 p -49.54 -34.81 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -68.25 -49.78 58.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.91 -45.83 60.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 22.4 mtt -71.56 -36.08 70.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -58.14 -54.89 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.8 t -58.29 -31.01 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.8 tt -56.42 -59.89 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.71 82.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.1 tt -43.39 -50.71 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.84 -43.46 92.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -46.1 -49.62 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.452 ' C ' ' H ' ' A' ' 535' ' ' VAL . 82.6 t -72.54 -58.82 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.535 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -77.24 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 536' ' ' GLY . 15.0 p -47.6 -40.68 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.5 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -81.13 -99.34 0.37 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.02 110.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.408 ' SG ' HD11 ' A' ' 573' ' ' LEU . 28.6 t -94.93 131.17 41.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.76 178.19 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 542' ' ' ILE . . . -100.19 -57.33 0.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.524 ' CG ' HH22 ' B' ' 74' ' ' ARG . 72.1 m-20 -41.0 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 0.0 110.625 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 540' ' ' GLY . 97.1 mt -72.97 -59.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 10.2 m -58.28 -40.21 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 75.2 p -54.15 -57.58 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 70.8 p -60.16 -53.37 58.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.391 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.26 -37.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.09 -39.6 60.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.461 ' OD2' ' O ' ' B' ' 71' ' ' LEU . 76.8 m-20 -48.63 -36.15 15.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.222 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 553' ' ' ARG . 4.4 m120 -77.84 -58.29 3.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -40.36 -36.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.434 ' HB2' HH22 ' B' ' 42' ' ' ARG . 37.4 mt -91.01 -77.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.6 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.12 -43.54 98.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.859 ' O ' ' C ' ' A' ' 554' ' ' THR . 26.6 ttm-85 72.68 -61.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.711 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.859 ' C ' ' O ' ' A' ' 553' ' ' ARG . 0.0 OUTLIER 26.77 -123.86 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 1 N-CA-C 97.718 -4.919 . . . . 0.0 97.718 -179.733 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.673 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 15.36 50.46 0.0 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.751 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -108.82 -2.63 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.717 -179.011 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 556' ' ' ILE . 33.2 mt-10 -33.84 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.452 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 556' ' ' ILE . 85.2 mt -137.07 175.85 9.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.353 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.444 ' O ' ' OG1' ' A' ' 560' ' ' THR . 34.6 pttt -176.27 127.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.693 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 m -168.62 68.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.508 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 560' ' ' THR . 36.2 t0 59.68 121.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.41 ' H ' ' H ' ' A' ' 563' ' ' VAL . 24.0 p-90 -179.42 -0.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.41 ' H ' ' H ' ' A' ' 562' ' ' TRP . 11.8 p -70.41 -35.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -60.01 -49.46 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -66.64 -53.08 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 58.0 tp -47.73 -56.38 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.87 -29.86 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 568' ' ' LEU . 1.7 tt -63.38 -59.73 4.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -46.7 -60.73 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 6.3 tp -53.69 -23.06 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -77.64 -66.59 1.75 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 572' ' ' ILE . 11.1 tp -63.92 -20.24 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.629 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.408 HD11 ' SG ' ' A' ' 538' ' ' CYS . 19.3 tp -46.0 -63.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.487 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -80.01 112.65 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.533 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.1 ttt -43.98 -80.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 169.43 -174.83 43.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.431 ' H ' ' HA ' ' A' ' 608' ' ' TYR . 14.1 mm100 44.89 73.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -179.79 131.37 1.64 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -68.52 3.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.669 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 578' ' ' GLY . 21.2 mt-30 -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.57 -36.89 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -54.09 -54.31 41.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 586' ' ' GLU . 16.2 t70 -55.54 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 39.8 t -40.96 -52.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 31.8 tp -52.43 -33.1 42.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.357 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 583' ' ' ASP . 11.5 tt0 -60.94 -37.92 84.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.506 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 590' ' ' ALA . 0.5 OUTLIER -65.45 -51.18 61.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 82.3 mt -48.37 -31.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.1 t -85.48 -21.82 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.531 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -67.97 -37.06 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 592' ' ' GLU . 2.4 tp -83.23 154.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.511 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 591' ' ' ILE . 94.3 mt-10 -59.48 -127.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.512 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 44.1 75.5 0.64 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.28 -0.62 10.27 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.024 2.483 . . . . 0.0 111.971 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 4.5 ptm -73.21 -10.62 59.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 44.6 p -79.5 -3.58 47.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 5.9 t -43.3 -45.76 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.93 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.88 -27.67 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -62.97 -50.94 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.22 -34.07 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.88 -69.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.57 -19.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.5 -64.75 2.83 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 m -53.67 -59.48 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.643 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 53.6 t -75.6 118.79 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 171.85 -174.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.539 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.431 ' HA ' ' H ' ' A' ' 577' ' ' GLN . 17.0 m-85 48.3 -130.35 1.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 53.4 p -48.56 -41.76 31.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.528 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 612' ' ' GLY . . . 82.47 -88.12 1.45 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 71.4 p -66.4 72.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.696 0 CA-C-O 118.0 -1.445 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.458 ' N ' ' O ' ' B' ' 17' ' ' VAL . 28.9 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -105.68 121.15 43.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 pt -124.44 153.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.454 ' HE1' ' HG1' ' B' ' 14' ' ' THR . 61.9 m-85 -106.3 143.84 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -123.56 105.75 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.314 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -80.78 158.6 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.713 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.3 p -139.3 143.43 37.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.8 -3.66 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.538 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -94.68 12.11 28.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.03 72.38 0.85 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -170.38 140.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 110.611 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -124.44 113.72 18.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.422 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -98.21 133.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.454 ' HG1' ' HE1' ' B' ' 4' ' ' PHE . 15.8 m -101.64 119.46 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.234 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.13 135.04 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -90.57 93.14 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.25 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.1 m -115.35 -166.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 2.5 mt-10 -136.93 177.71 2.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.037 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.16 -24.43 12.58 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.81 2.34 . . . . 0.0 112.35 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -89.1 -11.03 45.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.1 m-20 -60.16 141.52 55.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.666 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 67.3 p -92.29 147.46 22.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.66 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.628 HG22 ' HZ2' ' B' ' 27' ' ' LYS . 19.8 mm -50.0 -48.82 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.367 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -50.78 -41.02 56.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.335 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.484 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 14.2 t-20 -62.28 -43.97 97.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.331 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.25 -48.45 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.628 ' HZ2' HG22 ' B' ' 23' ' ' ILE . 42.7 mttp -53.62 -44.09 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.226 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.12 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.484 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 53.6 mttp -56.06 -43.93 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.216 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.27 -44.64 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.358 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -66.06 -42.57 89.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.474 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -69.85 -66.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.57 -110.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.06 25.65 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.562 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 49.8 mt -95.42 115.51 65.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.61 0.243 . . . . 0.0 110.511 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.04 137.94 12.9 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.65 2.233 . . . . 0.0 111.814 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -52.87 6.73 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.745 2.296 . . . . 0.0 112.036 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -70.1 38.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.502 ' H ' ' C ' ' B' ' 38' ' ' PRO . 52.9 mt-30 -158.11 40.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 33.2 mt-30 -146.02 110.82 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.819 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.434 HH22 ' HB2' ' A' ' 551' ' ' LEU . 72.3 mtp180 -89.93 108.18 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.293 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.1 121.82 39.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.939 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.47 139.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.17 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' B' ' 47' ' ' GLY . 84.9 t80 -153.6 116.8 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 47' ' ' GLY . . . 38.15 -89.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.762 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -35.97 -75.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -174.87 -141.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.902 0.382 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -87.52 130.62 34.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.328 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.431 ' N ' HD23 ' B' ' 50' ' ' LEU . 8.2 mt -80.69 119.47 23.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.631 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -71.04 159.85 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.657 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -83.72 101.25 11.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.52 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 150.68 -63.27 0.4 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.697 ' HE ' ' N ' ' B' ' 54' ' ' ARG . 3.9 mmp_? -46.92 176.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.559 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 53.5 p -111.38 176.86 4.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' B' ' 17' ' ' VAL . 63.5 mt -80.23 3.15 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.734 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.414 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 20.7 p -92.29 -38.99 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.673 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -58.57 -29.44 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -95.48 8.66 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.465 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER 52.16 28.07 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.71 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.09 104.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.99 -157.65 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -88.17 157.55 18.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.744 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 62.78 29.76 16.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -88.38 128.74 35.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.403 ' C ' HD12 ' B' ' 67' ' ' LEU . 10.6 m -88.9 110.55 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.565 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.7 mp -92.93 112.12 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.474 ' NE2' ' OD2' ' A' ' 583' ' ' ASP . 14.6 m80 -69.62 112.98 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.407 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.741 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.4 tt -102.58 125.77 49.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.712 ' N ' HD23 ' B' ' 69' ' ' LEU . 29.2 t -124.56 162.8 25.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.535 ' N ' HG12 ' B' ' 70' ' ' VAL . 5.0 mp -130.0 138.98 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' B' ' 74' ' ' ARG . 91.7 mtt180 -61.02 -171.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.936 HD22 ' H ' ' B' ' 73' ' ' LEU . 2.0 mm? -65.55 69.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.524 HH22 ' CG ' ' A' ' 541' ' ' ASP . 33.4 ttp85 -65.5 -1.44 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.96 -142.69 41.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.027 -1.43 . . . . 0.0 110.983 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.503 ' N ' ' O ' ' C' ' 17' ' ' VAL . 31.5 ttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -82.21 117.64 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.41 HD12 HD22 ' C' ' 67' ' ' LEU . 6.1 pt -120.62 150.86 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.518 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.49 95.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.251 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . 0.427 ' HZ1' ' HG3' ' A' ' 504' ' ' GLU . 31.1 ttpt -79.63 123.15 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.728 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.71 HG23 ' O ' ' C' ' 11' ' ' LYS . 74.9 p -70.63 150.1 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.211 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.736 HD13 HG13 ' C' ' 70' ' ' VAL . 16.1 tp -36.14 -28.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.573 HG22 ' C ' ' C' ' 8' ' ' LEU . 0.0 OUTLIER 167.87 73.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.489 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.01 -75.82 0.02 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.71 ' O ' HG23 ' C' ' 7' ' ' THR . 24.1 tttp -140.83 162.71 34.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.68 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.565 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 88.2 m -114.95 113.89 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.392 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.34 154.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.636 ' C ' HD12 ' C' ' 15' ' ' LEU . 4.7 m -122.53 109.21 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.636 HD12 ' C ' ' C' ' 14' ' ' THR . 10.6 mp -111.23 140.12 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.929 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -93.49 121.87 35.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.103 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' C' ' 1' ' ' MET . 3.7 m -144.49 -175.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.958 0.409 . . . . 0.0 110.944 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.593 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 34.8 mt-10 -132.2 147.45 65.8 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.134 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -30.43 7.28 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.969 2.446 . . . . 0.0 112.55 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -82.16 -12.29 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.118 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.593 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 21.1 m-20 -59.37 141.97 53.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.919 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -90.26 144.17 26.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.582 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -47.58 -55.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -46.31 -41.52 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.366 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.508 ' C ' HD22 ' C' ' 25' ' ' ASN . 0.1 OUTLIER -61.04 -42.04 97.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.235 179.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.32 -46.02 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.151 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -54.47 -41.32 69.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.123 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.04 95.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.17 -38.7 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.226 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.67 -40.69 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.328 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.452 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 34.1 tp60 -58.76 -38.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.344 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.97 -35.16 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.45 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -92.63 -108.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.98 19.37 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.513 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 40.0 mt -89.36 107.68 19.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.618 0.247 . . . . 0.0 110.495 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.14 143.42 4.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.652 2.234 . . . . 0.0 111.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.93 -58.24 1.76 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.767 2.312 . . . . 0.0 112.012 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -48.72 -32.46 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.679 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -92.94 53.89 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.601 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 54.7 mt-30 -156.57 147.99 22.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.61 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.504 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 2.4 tpt180 -144.87 106.78 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.15 118.64 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.947 HD12 HG21 ' C' ' 70' ' ' VAL . 41.3 mt -120.58 123.98 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 50.4 t80 -140.87 154.91 46.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . 44.04 42.7 5.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.67 46.2 59.55 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -159.73 135.24 8.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.644 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.504 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 34.2 tt0 -76.67 136.02 39.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.81 122.9 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -80.5 158.35 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 165.51 25.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.96 -64.35 4.25 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 12.9 mmt85 -46.25 168.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.6 p -111.29 171.12 7.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' C' ' 17' ' ' VAL . 62.3 mt -67.01 -14.52 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.442 ' C ' ' H ' ' C' ' 59' ' ' TYR . 83.6 p -77.31 -29.74 53.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' C' ' 58' ' ' ASP . 1.5 m-20 -74.01 15.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.692 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' C' ' 57' ' ' SER . 89.8 m-85 -144.97 20.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 11.7 p30 43.14 36.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.8 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -81.6 97.3 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.353 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -82.18 -168.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.714 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -74.3 160.2 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 56.61 35.15 25.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.734 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -91.95 135.79 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -88.92 112.29 23.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.41 HD22 HD12 ' C' ' 3' ' ' ILE . 8.7 mp -98.89 112.42 24.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -73.22 102.09 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.466 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 39.4 tp -83.17 117.04 22.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.947 HG21 HD12 ' C' ' 44' ' ' ILE . 1.4 t -122.54 121.84 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.461 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.93 144.34 36.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -112.17 47.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 mt -70.35 78.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -131.95 152.93 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.29 91.9 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.765 0 CA-C-O 118.033 -1.426 . . . . 0.0 110.961 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 7.4 p30 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 483' ' ' THR . 17.9 p -51.77 161.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -71.43 164.57 25.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.03 -12.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.592 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 17.4 t -54.16 -39.73 66.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 29.4 t -63.21 -59.52 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.588 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.0 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -60.72 -69.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.1 mm -55.76 -25.28 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.8 tt -59.46 -67.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.494 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.4 -48.45 85.94 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 1.9 tp -60.77 -31.76 71.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.537 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -58.46 -55.34 31.29 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 11.9 tt -78.52 -7.23 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 0.0 110.684 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -69.13 -67.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 1.6 p90 -79.34 28.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -54.17 -59.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.517 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -101.55 66.57 0.45 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 68.9 p -156.17 77.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -86.5 57.48 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -94.94 177.4 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.75 3.6 40.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.527 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 32.1 tt0 -89.1 -57.02 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.442 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 31.9 t -41.09 -47.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.582 ' C ' ' H ' ' A' ' 508' ' ' LEU . 64.7 mt -72.41 -51.63 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -50.67 -3.69 0.05 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.582 ' H ' ' C ' ' A' ' 506' ' ' LEU . 9.5 tp -121.0 -56.71 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.78 -33.76 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.545 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 16.0 tp -62.13 -62.35 5.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.778 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.598 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -46.51 -55.45 3.76 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.419 2.079 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.94 -21.7 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.398 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -85.24 -23.74 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -169.65 59.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.657 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.1 p -74.28 -6.68 49.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.413 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.6 46.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -171.33 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 519' ' ' PRO . 19.3 mt -91.41 143.51 28.3 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.488 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -46.54 -173.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.754 2.302 . . . . 0.0 112.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 558' ' ' LEU . 7.9 mt -97.92 -21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -51.63 -93.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 72.5 p -41.3 -43.97 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.654 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.88 -53.59 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.24 -36.87 53.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.2 tpt -63.21 -51.54 65.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.47 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.496 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.6 m -60.85 -58.59 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.454 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.34 -55.0 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.0 -37.59 6.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.471 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -60.43 -41.58 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.467 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.45 -46.28 89.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.516 ' C ' ' H ' ' A' ' 535' ' ' VAL . 60.7 t -67.37 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.654 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.39 26.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.516 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.7 p -48.57 -30.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.51 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.57 -101.5 0.47 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 537' ' ' THR . 0.2 OUTLIER -62.21 121.23 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.547 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 573' ' ' LEU . 94.1 m -96.71 127.82 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.445 ' CG ' ' H ' ' A' ' 540' ' ' GLY . 9.4 t-20 -84.21 -178.21 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.445 ' H ' ' CG ' ' A' ' 539' ' ' ASN . . . -98.01 -55.8 1.11 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.477 ' O ' ' OG1' ' A' ' 544' ' ' THR . 63.8 m-20 -42.88 -31.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.39 -46.37 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.5 m -70.44 -23.55 62.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.635 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 32.9 p -69.08 -54.25 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 63.0 p -63.12 -51.28 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.223 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 547' ' ' MET . 0.9 OUTLIER -52.58 -50.4 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.315 179.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.456 ' N ' HG22 ' A' ' 546' ' ' ILE . 81.2 mmm -61.57 -49.17 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.14 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -46.59 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.249 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 553' ' ' ARG . 31.9 t-20 -54.3 -60.21 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.184 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -45.8 -34.31 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.358 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 42.1 mt -83.08 -77.18 0.25 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.565 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.538 ' CG ' HH12 ' B' ' 42' ' ' ARG . 27.1 mt-10 -55.17 -43.34 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.1 OUTLIER 71.01 -23.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.89 ' C ' ' H ' ' A' ' 556' ' ' ILE . 99.1 m -28.09 -40.65 0.02 OUTLIER 'General case' 0 C--N 1.26 -3.29 0 CA-C-O 125.327 2.489 . . . . 0.0 111.002 -162.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.747 ' N ' ' O ' ' A' ' 553' ' ' ARG . . . -45.64 3.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 112.712 -2.04 . . . . 0.0 109.56 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.89 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -42.66 -3.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.286 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.739 ' N ' ' O ' ' A' ' 555' ' ' ALA . 33.9 mt-10 -78.49 70.22 4.81 Favored 'General case' 0 CA--C 1.547 0.849 1 N-CA-C 98.972 -4.455 . . . . 0.0 98.972 -175.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 558' ' ' LEU . 1.4 pt? -110.14 -179.85 3.9 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.457 ' N ' ' HG ' ' A' ' 558' ' ' LEU . 56.6 tttm -145.91 -11.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 69.5 p -148.14 -137.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.657 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -78.16 166.81 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 8.1 p90 -171.38 -45.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.609 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 12.8 p -49.99 -24.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -72.3 -74.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -55.14 -48.19 74.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 tp -49.77 -56.76 9.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.54 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.72 75.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.3 tp -45.79 -43.53 13.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.43 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.22 -4.15 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -86.58 -61.34 1.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 14.3 tt -76.64 -14.8 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.472 ' O ' ' SG ' ' A' ' 538' ' ' CYS . 19.9 tp -43.21 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -64.12 121.24 13.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.595 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.582 ' SD ' ' N ' ' A' ' 576' ' ' GLY . 1.0 OUTLIER -80.36 -67.14 0.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.582 ' N ' ' SD ' ' A' ' 575' ' ' MET . . . -73.72 63.93 1.89 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -49.74 144.13 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.594 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 162.36 -133.63 3.18 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -57.42 -23.21 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -58.84 -51.24 70.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.54 -34.57 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.89 -42.81 80.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -65.97 -41.35 91.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -50.68 79.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 47.2 mt -52.72 -47.95 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -49.1 -44.68 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 1.3 m -64.91 -49.54 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.27 -21.06 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.518 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 48.8 m -90.09 -25.9 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -69.16 -25.25 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.565 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 2.3 tp -87.67 156.83 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.551 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -70.09 -114.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 595' ' ' MET . 36.4 m80 41.15 53.03 6.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.49 -10.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.019 2.48 . . . . 0.0 112.02 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.549 ' N ' ' O ' ' A' ' 593' ' ' HIS . 10.7 mmt -76.69 -12.27 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 59.8 p -81.89 -9.99 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 9.9 t -45.79 -42.74 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.07 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 37.2 mt -67.96 -47.36 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.626 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -53.24 -46.91 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 45.9 t -63.1 -26.18 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 602' ' ' LEU . 2.1 tt -76.84 -71.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.05 -33.59 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.17 -49.33 62.44 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 36.6 m -52.09 -51.57 56.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.23 118.41 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 179.67 176.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 46.3 87.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.537 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 10.6 t -156.29 -158.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 612' ' ' GLY . . . 47.86 -173.01 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 7.7 p -63.03 -0.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 610' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 118.051 -1.416 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.514 ' SD ' HG23 ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -86.09 112.78 21.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.445 HG23 ' SD ' ' B' ' 1' ' ' MET . 5.2 pt -102.82 150.63 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.697 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -103.43 142.15 34.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 97.9 t -122.32 106.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.383 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -96.33 122.99 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.491 ' C ' ' H ' ' B' ' 9' ' ' THR . 80.9 p -85.03 157.11 20.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.08 2.25 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.491 ' H ' ' C ' ' B' ' 7' ' ' THR . 30.6 p -93.61 -45.73 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.5 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.67 5.63 1.93 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -97.46 137.42 36.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.556 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -111.84 146.86 36.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mt -136.76 129.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.687 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -97.25 128.77 44.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -130.77 132.35 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.15 114.31 21.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.301 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.514 HG23 ' SD ' ' B' ' 1' ' ' MET . 5.4 m -137.23 -174.4 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.562 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 84.9 mt-10 -142.6 147.4 42.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.251 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.76 -10.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.744 2.296 . . . . 0.0 112.216 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -106.28 15.96 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 3.3 m-20 -89.63 133.36 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.433 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.1 p -82.13 134.61 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.1 mm -41.81 -50.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.285 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -51.3 -39.5 57.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.321 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 22' ' ' THR . 0.5 OUTLIER -63.03 -42.77 99.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.286 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.11 -51.97 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.354 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -50.51 -42.49 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.297 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.35 89.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -56.83 -41.41 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 mt -63.2 -48.04 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.486 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -54.78 -32.69 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 38.5 t0 -74.9 -26.74 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -81.98 -64.58 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -84.8 -106.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.03 13.43 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.479 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 53.3 mt -83.44 127.91 66.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.552 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.38 141.58 32.04 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.632 2.221 . . . . 0.0 111.94 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.667 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.63 -50.97 9.69 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.797 2.332 . . . . 0.0 112.028 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.76 9.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.667 ' H ' ' C ' ' B' ' 38' ' ' PRO . 12.3 mt-30 -143.83 54.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -147.32 129.78 15.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.538 HH12 ' CG ' ' A' ' 552' ' ' GLU . 20.6 ttm180 -125.54 109.73 13.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.421 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -98.95 125.17 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -124.78 139.97 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.375 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 80.4 t80 -130.25 176.96 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -38.58 -28.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -86.15 -92.06 0.89 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -146.74 -144.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.376 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -91.83 135.73 33.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -83.98 129.22 34.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.604 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -93.02 159.02 15.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -67.23 162.2 23.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.03 -68.14 3.58 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.8 mmt180 -41.37 166.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.321 . . . . 0.0 110.586 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -115.22 162.81 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.5 mt -55.08 -40.74 70.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -56.22 -24.12 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.596 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.543 ' O ' ' CD1' ' B' ' 59' ' ' TYR . 6.0 m-20 -80.86 26.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' B' ' 58' ' ' ASP . 78.8 m-85 -155.41 8.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.626 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 55.59 26.83 9.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.708 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.95 95.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.414 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -67.47 -156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -90.87 159.15 16.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.769 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 56.72 28.48 14.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -80.57 132.12 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -89.48 109.4 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.27 125.37 41.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.531 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 105.0 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.506 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.3 tp -96.51 134.62 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.3 t -133.2 152.29 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.6 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.9 mp -89.04 166.83 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.505 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' B' ' 73' ' ' LEU . 35.1 ttt180 -67.31 167.33 12.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.477 ' N ' ' CG ' ' B' ' 72' ' ' ARG . 6.8 tp -75.88 60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -88.32 -171.9 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 -115.17 4.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.939 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.407 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.67 104.0 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 6.9 pt -101.67 147.84 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -104.9 139.4 39.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.785 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.68 96.06 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . 0.527 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 32.2 ttmt -80.03 118.94 22.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.785 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.776 HG23 ' O ' ' C' ' 11' ' ' LYS . 56.2 p -77.19 142.63 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.173 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.526 HD22 HG13 ' C' ' 70' ' ' VAL . 14.3 tp -39.25 -49.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.528 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.478 HG23 ' O ' ' C' ' 8' ' ' LEU . 31.5 p -156.75 68.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.77 -82.66 0.04 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.776 ' O ' HG23 ' C' ' 7' ' ' THR . 0.1 OUTLIER -155.88 167.1 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.657 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.568 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 24.5 m -107.59 102.44 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.37 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -76.23 164.13 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -136.95 121.55 18.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.31 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mt -130.21 141.82 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.847 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -86.86 116.6 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.349 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.2 m -130.53 178.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.708 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.619 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 12.4 mt-10 -131.19 144.45 53.55 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.371 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.18 -11.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.83 2.353 . . . . 0.0 112.244 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 18' ' ' GLU . 0.8 OUTLIER -96.97 -23.31 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.723 -179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.619 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -49.14 140.38 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 174.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.451 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 4.2 p -95.78 137.07 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.98 -47.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.465 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -50.36 -49.92 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.292 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.451 ' OD1' ' OG1' ' C' ' 22' ' ' THR . 2.9 m-20 -56.27 -44.05 79.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.271 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.84 -54.93 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.179 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' C' ' 41' ' ' GLN . 79.8 mttt -49.26 -38.19 26.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -61.0 -47.38 86.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.408 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.05 -32.54 71.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.5 mt -70.05 -38.86 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -65.07 -35.93 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.22 -21.34 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -85.16 -60.2 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -89.26 -82.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.25 1.31 0.06 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 55.9 mt -73.84 133.65 79.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.497 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -74.12 142.03 30.26 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.671 2.247 . . . . 0.0 111.898 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.606 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.25 -46.43 16.7 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.773 2.315 . . . . 0.0 112.008 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.69 27.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.606 ' H ' ' C ' ' C' ' 38' ' ' PRO . 58.4 mt-30 -156.96 42.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.402 ' O ' ' NZ ' ' C' ' 27' ' ' LYS . 74.9 mt-30 -147.11 111.05 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.575 ' NE ' ' NE2' ' C' ' 49' ' ' GLN . 2.9 tpt180 -103.47 102.14 12.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.16 115.74 19.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.646 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 1.03 HD12 HG21 ' C' ' 70' ' ' VAL . 67.7 mt -117.59 141.35 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -144.33 118.36 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 31.39 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 4.41 85.25 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -106.8 117.32 33.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.575 ' NE2' ' NE ' ' C' ' 42' ' ' ARG . 35.6 tt0 -73.32 130.81 40.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.48 140.03 30.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.662 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -92.8 159.05 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.43 162.75 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.67 -52.99 4.65 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -53.29 153.05 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 14.3 p -92.85 164.47 13.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.8 -37.25 83.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.709 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.402 ' HG ' ' HG1' ' C' ' 55' ' ' THR . 19.8 p -57.1 -23.82 49.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.658 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.53 20.02 0.59 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.659 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -148.75 10.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.508 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 55.54 25.81 8.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.5 mt -74.32 93.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.493 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -73.03 -156.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.68 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -91.09 162.6 14.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.763 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 58.19 18.22 5.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.733 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 71.9 m -69.24 170.18 10.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -126.97 94.96 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.593 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.29 119.99 25.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -79.83 100.09 7.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.15 101.46 9.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.449 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 1.03 HG21 HD12 ' C' ' 44' ' ' ILE . 1.6 t -101.72 128.67 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.69 159.44 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -100.49 31.9 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 35.9 tp -44.1 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.526 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -156.05 109.6 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.605 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 43.72 26.55 0.76 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.994 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 484' ' ' LYS . 17.6 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 3.6 t -52.34 -11.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 482' ' ' ASP . 44.2 mttp -63.3 93.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.571 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 4.6 tp -44.94 -26.15 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 49.3 m -56.73 -56.32 23.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.9 t -45.78 -68.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -45.16 -38.26 5.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.623 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.91 -73.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 21.5 mm -53.36 -16.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.9 tp -76.5 -79.49 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.456 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.54 -45.56 53.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.21 -22.93 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -62.06 -41.82 99.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 495' ' ' ILE . 93.4 mt -87.4 -13.72 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.639 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.54 76.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 499' ' ' GLY . 63.3 m-85 -44.16 -35.51 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.579 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.1 -12.07 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -79.83 93.43 1.38 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 2.0 m 64.94 98.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -78.28 54.67 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -77.91 -170.5 1.92 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 15.34 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -87.66 -52.56 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.288 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 497' ' ' PHE . 50.0 t -43.6 -40.01 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.336 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 508' ' ' LEU . 16.0 mt -77.23 -48.52 17.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.517 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.08 -9.6 0.12 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 506' ' ' LEU . 38.8 mt -109.72 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.775 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.41 -36.51 80.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.3 mt -58.58 -66.01 1.63 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.3 -63.51 0.32 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.644 2.229 . . . . 0.0 111.824 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 64.9 mt -51.91 -19.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -98.61 -26.52 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.538 ' HB1' HD12 ' B' ' 73' ' ' LEU . . . -157.61 62.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.508 ' OG ' HD11 ' A' ' 518' ' ' LEU . 2.0 p -103.98 -0.38 28.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.374 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 63.4 p 50.39 37.07 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -145.6 9.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -164.71 154.27 11.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.637 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.464 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.49 -178.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.96 2.44 . . . . 0.0 111.944 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.471 ' H ' ' CD1' ' A' ' 558' ' ' LEU . 14.0 pt -139.51 40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.67 -47.92 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 85.0 m -84.84 -19.78 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.18 -47.13 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.04 -54.65 40.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 25.0 mtt -54.62 -45.81 73.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.634 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -60.36 -47.07 87.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 m -44.96 -49.87 10.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.5 tp -57.91 -59.57 5.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.86 -34.39 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -65.86 -31.05 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.384 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 528' ' ' LEU . . . -73.26 -53.43 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.41 ' ND1' ' N ' ' A' ' 532' ' ' HIS . 0.3 OUTLIER -49.58 -47.15 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.663 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 535' ' ' VAL . 92.9 t -64.08 -71.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -73.7 25.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -50.84 -42.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -84.13 -56.33 2.59 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 40.8 p -69.57 -169.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 24.0 p -167.65 170.04 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -158.52 163.22 37.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -89.83 -46.44 4.23 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -31.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.719 0.295 . . . . 0.0 110.592 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 92.1 mt -70.26 -74.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.7 m -43.42 -46.89 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.486 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 20.6 p -47.82 -58.36 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 74.1 p -58.48 -59.42 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.31 -32.06 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.284 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 549' ' ' ASN . 7.1 tpt -75.68 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER -42.92 -24.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.413 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 553' ' ' ARG . 77.1 m-20 -79.95 -53.82 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -49.44 -34.23 16.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.3 mp -85.11 -77.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.04 -43.17 75.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.701 ' O ' ' N ' ' A' ' 555' ' ' ALA . 6.1 ttm180 72.42 -69.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.729 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.0 OUTLIER 38.09 -56.1 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.224 1 C-N-CA 136.215 5.806 . . . . 0.0 104.506 -177.447 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -37.25 -18.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.244 0.545 . . . . 0.0 109.777 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.729 ' N ' ' O ' ' A' ' 554' ' ' THR 0.268 0.8 OUTLIER -4.36 -43.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 161.568 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.731 ' N ' ' O ' ' A' ' 555' ' ' ALA . 14.7 mm-40 5.12 -64.06 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.459 -0.896 . . . . 0.0 112.64 167.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' A' ' 556' ' ' ILE . 20.5 mt -104.27 163.88 12.11 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -141.48 -170.92 3.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 2.9 m 68.45 108.42 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.66 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 59.66 104.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 3.8 p90 -172.88 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.627 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.6 p -71.1 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -52.76 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -52.0 -48.47 64.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.5 tp -49.55 -40.96 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -59.54 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 14.8 mt -46.48 -44.45 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -55.65 -69.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 tp -43.44 -24.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.63 -73.6 1.13 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 8.4 mm -64.44 -5.46 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.462 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.459 HD23 ' CE2' ' A' ' 574' ' ' TYR . 32.2 tp -43.23 -67.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 573' ' ' LEU . 67.9 m-85 -81.64 -155.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.2 tpt -165.94 142.09 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 52.38 -169.34 0.65 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 50.74 -162.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -173.42 -31.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -43.7 -47.96 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.533 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.584 ' H ' ' NE2' ' A' ' 580' ' ' GLN . 3.9 mp0 -57.67 -47.89 81.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.64 -53.55 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 12.7 m-20 -47.27 -38.98 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.477 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.88 -54.78 40.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 41.2 t -52.21 -62.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.9 mp -46.67 -49.3 19.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -44.53 -42.2 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 0.2 OUTLIER -62.99 -49.89 72.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 64.9 mt -46.08 -47.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -60.52 -30.86 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -57.45 -62.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 23.7 mm -78.01 81.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 55.08 -173.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 0.1 OUTLIER -163.67 76.82 1.71 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.473 ' C ' ' N ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.18 -167.76 0.46 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.96 2.44 . . . . 0.0 111.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.481 ' O ' ' N ' ' A' ' 597' ' ' SER . 15.9 ptt? -47.39 -13.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.473 ' N ' ' C ' ' A' ' 594' ' ' PRO . 5.6 m -48.39 -11.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 595' ' ' MET . 67.7 m -48.06 -42.77 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -43.73 -42.88 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.47 -48.71 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.645 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -45.95 -50.43 14.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 79.8 t -63.33 -50.42 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -46.32 -63.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.41 -18.52 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -75.51 -71.75 1.12 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 64.8 m -43.82 -37.74 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 0.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 47.9 t -78.87 127.75 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -174.37 160.82 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 610' ' ' GLY . 88.2 m-85 45.88 37.2 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 82.8 p -46.25 91.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . 61.72 119.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 2.9 t -55.39 147.68 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.289 . . . . 0.0 110.6 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.759 0 CA-C-O 117.96 -1.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.53 115.84 22.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 pt -117.97 154.57 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -108.75 142.24 39.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.632 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.48 105.63 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -88.4 127.18 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.486 ' C ' ' H ' ' B' ' 9' ' ' THR . 34.8 p -93.03 152.26 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.454 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.09 9.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.557 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.486 ' H ' ' C ' ' B' ' 7' ' ' THR . 23.8 p -98.55 -43.93 6.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.75 24.94 0.57 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -125.35 136.42 53.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.2 m -112.45 125.68 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.407 HG21 HD13 ' B' ' 13' ' ' ILE . 3.9 mt -107.55 132.1 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.582 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.7 m -101.76 113.37 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.28 166.9 10.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -121.96 102.55 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' B' ' 56' ' ' LEU . 8.5 m -127.18 -163.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.456 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.0 OUTLIER -140.46 178.12 1.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.097 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -75.19 -27.54 9.64 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.803 2.335 . . . . 0.0 112.142 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.79 18.28 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.739 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.39 136.94 32.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -85.86 144.78 27.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.51 -41.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -55.88 -43.62 77.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.37 -38.96 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.36 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.49 -54.56 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.349 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -50.32 -41.69 51.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.239 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.09 92.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.244 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.65 -38.13 77.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.311 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 mt -65.32 -42.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.306 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.78 -41.7 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.25 -28.62 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.364 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -75.6 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.49 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -97.59 -99.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.82 29.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.464 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 74.9 mt -101.0 101.9 17.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.655 0.264 . . . . 0.0 110.533 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.38 140.12 8.66 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.44 -63.13 0.35 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.733 2.288 . . . . 0.0 112.056 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 15.2 t70 -37.97 -29.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.752 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' B' ' 38' ' ' PRO . 14.1 mm100 -103.95 64.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -157.27 150.7 23.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.548 ' NH2' HD22 ' A' ' 551' ' ' LEU . 45.5 ttp180 -141.68 103.43 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.6 mt -97.37 129.71 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -135.36 145.25 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 87.3 t80 -130.78 170.28 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.557 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.87 -25.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.686 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.49 -71.38 1.28 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -172.4 -156.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.39 130.03 35.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.17 127.27 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -76.64 159.01 30.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.97 64.47 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . -174.95 -57.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.7 mmt85 -47.13 176.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.0 p -115.41 167.3 10.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.559 ' CD1' HG21 ' B' ' 17' ' ' VAL . 82.4 mt -68.75 -13.17 62.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 17.0 p -81.01 -28.46 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.44 -37.8 83.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -86.99 14.9 6.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 49.07 37.1 9.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.4 mt -82.7 107.39 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -84.34 -156.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.763 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -86.39 159.67 19.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 55.94 37.07 28.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.703 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.9 m -100.14 136.43 40.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -88.5 137.86 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.489 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -126.21 119.83 28.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -70.91 132.61 45.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.729 ' C ' HD23 ' B' ' 69' ' ' LEU . 5.9 tt -124.06 119.63 30.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.65 ' N ' HD23 ' B' ' 69' ' ' LEU . 3.3 t -124.28 153.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.603 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' A' ' 548' ' ' ASP . 22.0 mt -120.43 148.67 43.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.5 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 71' ' ' LEU . 72.6 mtp180 -44.87 172.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.28 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.793 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.5 mm? -41.26 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.469 ' NH2' ' CA ' ' C' ' 47' ' ' GLY . 45.9 ttt-85 61.24 136.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.31 156.77 21.89 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.792 0 CA-C-O 118.056 -1.413 . . . . 0.0 110.964 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.25 112.92 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.413 HD12 HD12 ' C' ' 67' ' ' LEU . 14.3 pt -115.62 148.42 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.642 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -102.18 148.21 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' C' ' 13' ' ' ILE . 77.4 t -124.83 95.41 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.171 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -83.43 130.5 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.925 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 67.8 p -92.06 147.29 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.675 HD11 HG13 ' C' ' 70' ' ' VAL . 87.9 mt -32.11 -49.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.612 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.517 HG23 ' O ' ' C' ' 8' ' ' LEU . 23.8 p -157.52 22.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.408 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . 0.528 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -96.46 -106.01 2.26 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.579 ' N ' ' OG1' ' C' ' 7' ' ' THR . 27.0 mtpt -129.9 172.28 11.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 83.0 m -111.08 82.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.211 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -68.43 139.77 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.57 ' C ' HD12 ' C' ' 15' ' ' LEU . 17.2 m -112.81 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.57 HD12 ' C ' ' C' ' 14' ' ' THR . 11.1 mp -109.35 161.59 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.75 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -114.97 106.97 14.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.4 m -131.18 -162.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.781 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.43 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 2.2 mt-10 -140.27 176.45 2.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.076 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.1 Cg_exo -75.39 -25.41 11.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.735 2.29 . . . . 0.0 112.213 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.59 -1.53 58.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.764 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.49 141.85 50.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -88.66 141.25 28.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.74 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 22.8 mm -45.89 -56.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.41 -42.16 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' C' ' 29' ' ' LYS . 8.5 t-20 -61.25 -46.66 89.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.122 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.0 -50.34 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.156 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -53.97 -32.95 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.19 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -65.09 -50.97 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.281 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' C' ' 25' ' ' ASN . 51.3 mttp -57.07 -38.79 73.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.342 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 mt -65.12 -38.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -62.69 -39.55 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.469 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -69.59 -23.65 63.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -81.93 -60.37 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -89.56 -93.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.67 23.48 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.577 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 34.5 mt -96.1 101.73 9.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.698 0.285 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.96 140.92 6.62 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.697 2.265 . . . . 0.0 111.825 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.19 -36.55 17.01 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.796 2.331 . . . . 0.0 111.954 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -76.28 19.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.68 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' C' ' 38' ' ' PRO . 40.9 mm-40 -143.55 -1.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 86.2 mt-30 -98.26 145.99 26.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.61 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 8.7 ttt180 -143.99 101.18 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.4 113.93 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.65 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.96 HD12 HG21 ' C' ' 70' ' ' VAL . 35.1 mt -113.03 133.83 57.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.443 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -144.89 138.4 26.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.548 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.95 22.96 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.469 ' CA ' ' NH2' ' B' ' 74' ' ' ARG . . . 84.18 -7.39 71.74 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -100.57 128.18 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.526 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 24.0 tt0 -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.04 115.94 21.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -78.04 158.37 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.96 165.24 24.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.26 -31.73 4.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.35 178.56 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 62.4 p -122.42 165.05 16.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.536 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.559 ' CD1' HG21 ' C' ' 17' ' ' VAL . 96.1 mt -66.25 -4.8 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 7.5 t -90.76 -21.3 21.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' C' ' 58' ' ' ASP . 1.7 m-20 -81.62 13.05 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -139.52 9.14 2.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 m120 56.37 23.26 7.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 82.7 mt -69.8 91.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.397 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.6 -160.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -80.61 156.13 26.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.679 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 62.45 33.48 16.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.764 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 38.6 m -90.25 132.04 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.469 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.99 108.68 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.413 HD12 HD12 ' C' ' 3' ' ' ILE . 13.9 mt -97.39 119.7 36.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -77.29 103.69 7.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 tp -79.14 111.12 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.485 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.96 HG21 HD12 ' C' ' 44' ' ' ILE . 1.9 t -118.8 127.87 75.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.513 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.572 HD12 ' N ' ' C' ' 71' ' ' LEU . 9.7 mp -73.54 165.11 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.55 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -130.27 37.98 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.498 ' C ' HD23 ' C' ' 73' ' ' LEU . 1.9 tt -69.8 94.83 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.492 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -159.61 72.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.637 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.13 126.63 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.734 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.936 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 51.3 p -67.86 168.9 10.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 486' ' ' SER . 41.0 mttp -78.98 116.73 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . 0.647 ' N ' HD13 ' A' ' 485' ' ' ILE . 0.1 OUTLIER -60.54 0.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.634 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.511 ' H ' ' C ' ' A' ' 484' ' ' LYS . 24.3 p -75.2 -35.38 61.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.538 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 24.0 t -66.52 -51.82 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -57.21 -35.66 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -58.2 -59.46 5.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.02 -31.3 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 7.5 tp -54.83 -70.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.31 -36.26 57.19 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 7.2 tp -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.402 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -59.06 -42.28 96.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.9 mm -77.12 -8.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -76.77 -70.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 48.9 p90 -81.27 25.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -51.04 -64.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -96.01 83.86 0.85 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 28.2 t -155.4 -62.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm 54.8 75.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 44.2 t30 -119.14 -176.07 3.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.484 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.1 p30 -88.5 -2.65 58.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.531 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -88.75 -53.31 4.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.406 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 39.4 t -40.67 -43.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.549 ' C ' ' H ' ' A' ' 508' ' ' LEU . 39.3 mt -77.64 -48.6 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.548 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -49.25 -6.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' A' ' 506' ' ' LEU . 4.2 tp -118.0 -55.87 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -39.76 95.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 513' ' ' ALA . 14.5 tp -56.85 -62.1 5.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.82 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.575 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.97 -62.49 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.383 2.055 . . . . 0.0 111.591 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 83.1 mt -44.76 -25.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -78.31 -46.01 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.48 ' CB ' HD12 ' B' ' 73' ' ' LEU . . . -148.47 54.46 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.0 OUTLIER -79.69 14.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 515' ' ' SER . 68.8 p 51.32 57.18 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.595 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 518' ' ' LEU . 55.6 t0 -166.38 -111.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.632 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.619 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -35.86 154.3 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.7 Cg_endo -45.77 -175.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.894 2.396 . . . . 0.0 112.021 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.8 pt -119.95 24.1 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.71 -62.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.9 m -68.66 -23.31 64.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.09 3.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -69.72 -57.82 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.1 mtt -57.98 -46.32 85.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.47 -49.01 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.8 m -64.4 -19.68 65.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -70.88 -66.75 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -55.01 -30.41 59.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.3 tt -61.65 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.47 -28.93 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.22 -58.31 7.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 70.2 t -69.31 -45.32 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.94 23.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 531' ' ' ALA . 10.4 p -61.78 -36.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -64.18 -100.82 0.01 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.2 t -59.01 -168.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.599 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.505 ' N ' ' OG1' ' A' ' 537' ' ' THR . 84.4 m -148.39 179.43 7.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -156.65 175.73 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 544' ' ' THR . . . -93.52 -52.88 1.92 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -41.58 -59.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.4 mt -53.09 -51.37 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 544' ' ' THR . 7.4 m -62.85 -72.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 543' ' ' THR . 45.7 p -22.44 -56.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.821 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.9 p -59.83 -56.92 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.348 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -51.07 -51.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.41 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.508 ' N ' HG22 ' A' ' 546' ' ' ILE . 6.3 tpt -55.45 -44.33 76.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.688 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -56.93 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 553' ' ' ARG . 6.9 m120 -54.3 -55.64 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -41.71 -38.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.98 -73.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.62 ' CD ' HH22 ' B' ' 42' ' ' ARG . 59.5 mm-40 -47.34 -54.7 10.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.728 ' O ' ' N ' ' A' ' 555' ' ' ALA . 8.4 mmt-85 85.48 -73.63 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 1 N-CA-C 99.944 -4.095 . . . . 0.0 99.944 165.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.735 ' O ' ' N ' ' A' ' 556' ' ' ILE . 93.9 m 15.03 -72.3 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.204 -1.56 . . . . 0.0 109.705 168.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.733 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -24.31 -30.56 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.878 -0.729 . . . . 0.0 111.185 173.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.735 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -9.41 -40.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 165.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' A' ' 555' ' ' ALA . 19.0 mm-40 6.45 -69.97 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.74 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.725 ' N ' ' O ' ' A' ' 556' ' ' ILE . 1.3 tt -130.22 105.84 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.433 ' N ' HD23 ' A' ' 558' ' ' LEU . 42.4 mtmt -76.05 -115.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.563 HG22 ' H ' ' A' ' 561' ' ' ASP . 1.1 m 60.73 -143.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 560' ' ' THR . 30.6 t0 -59.76 92.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -173.52 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.47 -30.56 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 567' ' ' ALA . 67.3 ttt-85 -73.95 -71.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.607 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -45.43 -55.35 6.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 55.0 tp -46.34 -49.9 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 564' ' ' ARG . . . -46.11 -55.05 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.525 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 568' ' ' LEU . 12.6 mt -52.17 -44.51 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.19 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.39 -22.48 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -78.39 -69.89 1.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.39 -23.76 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 18.9 tp -45.33 -60.14 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.32 -177.91 6.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.599 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 39.1 mtm -114.15 -84.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -174.23 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -46.07 169.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.316 . . . . 0.0 110.595 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.737 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 77.69 32.51 45.74 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 578' ' ' GLY . 25.1 pt-20 34.21 25.03 0.0 OUTLIER 'General case' 0 C--O 1.194 -1.828 0 O-C-N 122.03 -0.688 . . . . 0.0 110.998 172.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.737 ' N ' ' O ' ' A' ' 578' ' ' GLY . 57.8 mt-30 -60.44 -62.15 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 126.033 2.083 . . . . 0.0 110.567 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.69 -39.71 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.528 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -51.0 -40.62 58.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.583 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.48 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 10.3 t70 -69.25 -69.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 59.3 t -45.85 -55.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.7 tp -47.06 -38.65 11.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.43 -46.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.549 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.6 m -55.9 -57.75 10.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 75.6 mt -43.01 -40.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 25.1 p -72.6 -31.84 65.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.461 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -50.66 -48.79 58.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 591' ' ' ILE . 1.7 mp -89.99 151.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.282 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -38.37 148.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 7.4 p80 -138.61 75.45 37.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.41 -71.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.908 2.405 . . . . 0.0 111.919 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -94.45 -14.78 24.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.57 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 22.2 m -76.24 -21.37 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.7 t -46.36 -25.45 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.44 -42.43 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 83.2 mt -71.96 -22.65 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.1 -45.94 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.61 -39.97 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 tp -60.4 -73.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.7 t -47.41 -27.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.38 -34.55 32.05 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 48.1 m -59.35 -49.38 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.581 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 15.9 t -86.31 118.98 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.31 -158.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -78.51 179.93 6.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 12.5 t -162.05 -155.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 81.63 -135.99 15.26 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 5.9 m -79.27 54.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.529 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.783 0 CA-C-O 117.911 -1.494 . . . . 0.0 110.883 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -102.33 109.54 21.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.629 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -102.01 151.11 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.699 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -105.68 149.64 26.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.642 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.82 106.87 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -83.92 139.8 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -119.41 143.2 47.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.442 HD12 ' N ' ' B' ' 8' ' ' LEU . 11.2 mp -57.62 -12.38 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -84.03 13.4 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.8 69.73 1.25 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -169.48 131.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.658 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -108.45 128.28 54.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.463 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mt -111.89 129.91 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -106.96 119.26 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.359 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -124.73 141.37 52.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.3 115.38 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.76 170.38 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.705 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.621 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 26.9 mm-40 -125.4 150.3 67.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.67 -22.34 1.13 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.888 2.392 . . . . 0.0 112.228 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -85.78 -21.54 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.8 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.621 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.9 m-20 -50.98 138.88 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.477 ' O ' ' N ' ' B' ' 25' ' ' ASN . 4.5 p -95.57 137.29 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' B' ' 22' ' ' THR . 33.9 mm -39.43 -50.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -51.76 -39.56 58.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.338 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' B' ' 22' ' ' THR . 12.7 t30 -62.87 -45.68 91.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.317 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.4 t -58.73 -44.19 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -57.01 -42.44 80.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.273 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.33 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.351 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.76 -42.61 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.47 -36.16 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.431 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -63.52 -41.38 98.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.1 -26.96 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -79.64 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -85.62 -90.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 160.82 14.5 0.03 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.488 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 59.7 mt -85.06 110.25 27.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.709 0.29 . . . . 0.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.488 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.68 137.26 12.16 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.697 2.265 . . . . 0.0 111.922 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.57 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.69 -41.97 24.23 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.802 2.335 . . . . 0.0 111.959 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' B' ' 39' ' ' ASP . 1.4 m-20 -69.69 26.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.57 ' H ' ' C ' ' B' ' 38' ' ' PRO . 20.3 mt-30 -155.4 53.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.547 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -148.22 146.24 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.62 HH22 ' CD ' ' A' ' 552' ' ' GLU . 14.1 mtp180 -138.66 99.72 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.5 127.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' B' ' 45' ' ' PHE . 33.7 mt -124.76 153.99 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 52.8 t80 -139.05 170.0 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.634 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.29 -27.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.07 -88.89 0.73 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -146.93 -146.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -90.87 139.11 31.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.48 131.13 35.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -96.47 159.11 15.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.14 25.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.34 -62.93 4.55 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -43.16 161.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.423 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 27.9 p -110.53 164.97 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.39 -10.88 27.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.488 ' C ' ' H ' ' B' ' 59' ' ' TYR . 79.4 p -82.28 -32.14 29.73 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.559 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.84 19.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' B' ' 57' ' ' SER . 72.3 m-85 -141.15 -2.76 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 t30 67.33 20.86 9.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.2 mt -70.39 113.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -89.69 -157.02 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.71 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -88.63 159.76 17.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 52.47 31.69 10.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.587 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.9 m -92.42 140.04 29.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -82.47 144.43 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.52 112.51 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.48 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 38.1 m80 -66.86 153.21 44.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.305 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 tp -142.47 118.71 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.732 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 t -117.16 152.17 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -115.77 134.04 55.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' B' ' 74' ' ' ARG . 39.2 ttp180 -45.25 169.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.897 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.1 mm? -47.43 92.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' B' ' 72' ' ' ARG . 48.1 ttt-85 -86.8 158.09 19.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.59 -155.4 25.07 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 117.994 -1.448 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.439 ' N ' ' O ' ' C' ' 17' ' ' VAL . 20.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -75.12 112.25 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.2 pt -116.09 145.53 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -100.66 130.96 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.8 t -113.13 97.76 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.3 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -82.71 120.65 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.662 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.48 ' O ' ' N ' ' C' ' 9' ' ' THR . 72.6 p -75.75 170.16 16.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.116 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.647 ' C ' HG23 ' C' ' 9' ' ' THR . 9.5 tp -67.76 63.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.235 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.647 HG23 ' C ' ' C' ' 8' ' ' LEU . 1.7 p 64.76 72.39 0.44 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -170.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.01 -43.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' C' ' 12' ' ' THR . 30.4 tttm 179.47 158.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 110.705 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 8.7 m -113.8 104.84 12.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.68 135.36 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.489 ' C ' HD22 ' C' ' 15' ' ' LEU . 6.7 m -104.2 101.47 11.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 -176.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.678 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.7 mm? -96.12 130.22 43.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -90.8 88.8 7.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.152 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.5 m -113.52 -161.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 18.2 mt-10 -148.2 152.85 40.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.275 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.28 -46.82 13.48 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.899 2.399 . . . . 0.0 112.287 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.472 ' O ' ' C ' ' C' ' 21' ' ' ASP . 1.2 p -59.29 -47.26 86.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.879 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 2.0 m-20 -33.65 143.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.3 p -96.54 149.05 22.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.91 -55.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.429 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -44.42 -47.99 9.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 0.2 OUTLIER -56.13 -48.75 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.87 -52.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.228 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -51.5 -31.23 23.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -68.25 -46.31 70.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.41 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.25 -34.88 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.29 -42.12 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.0 -34.4 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.488 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' C' ' 32' ' ' ASP . 21.0 t0 -73.62 -33.07 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -74.07 -64.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -83.63 -100.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.51 10.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -81.27 124.55 80.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.65 0.262 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.06 140.48 31.34 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.6 2.2 . . . . 0.0 112.032 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.613 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.5 -50.56 10.2 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.843 2.362 . . . . 0.0 112.018 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -57.35 3.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.613 ' H ' ' C ' ' C' ' 38' ' ' PRO . 5.2 mt-30 -139.02 43.44 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -132.91 158.31 42.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -152.17 97.67 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.573 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -80.62 104.25 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.839 HD12 HG21 ' C' ' 70' ' ' VAL . 23.1 mt -108.3 121.3 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 73.4 t80 -115.64 176.62 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -38.69 -51.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -88.67 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.464 ' HZ3' ' NH2' ' B' ' 74' ' ' ARG . 38.7 mttm -146.53 -149.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.42 141.34 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.48 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 8.4 mt -88.44 115.47 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -75.42 158.42 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.08 158.26 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.07 -59.36 3.89 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 14.5 mmt180 -48.24 166.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.704 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 82.1 p -106.78 165.1 11.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.613 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' C' ' 17' ' ' VAL . 81.9 mt -64.34 -19.35 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.505 ' C ' ' H ' ' C' ' 59' ' ' TYR . 92.0 p -75.39 -29.22 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . 0.492 ' O ' ' CD2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -73.29 28.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.564 ' C ' HD22 ' C' ' 60' ' ' ASN . 83.1 m-85 -156.16 5.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . 0.566 HD22 ' N ' ' C' ' 60' ' ' ASN . 0.6 OUTLIER 58.35 32.69 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.675 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -81.15 91.54 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -77.32 -157.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -81.85 159.62 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 57.8 31.07 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.66 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -83.11 131.79 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -92.84 102.67 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -95.88 121.6 37.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -79.5 102.33 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.37 101.35 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.5 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.839 HG21 HD12 ' C' ' 44' ' ' ILE . 2.1 t -104.27 153.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -93.97 156.51 16.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -105.52 -66.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 13.2 mt 49.27 66.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -160.8 -130.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.51 -171.8 14.13 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.762 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.914 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 19.8 m -80.61 -75.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -73.73 117.9 16.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.9 tt -47.79 -24.81 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 487' ' ' SER . 56.6 p -68.0 -60.15 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . 0.409 ' N ' ' OG ' ' A' ' 486' ' ' SER . 26.8 m -45.89 -33.83 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.81 43.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.53 -50.72 68.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.3 mm -62.8 -47.37 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -47.34 -69.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.54 -59.74 7.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 5.0 tp -45.18 -37.28 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.528 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 496' ' ' ALA . . . -60.19 -67.03 2.34 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 24.6 pt -63.31 1.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 0.0 110.673 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -82.91 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.608 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 39.9 p90 -81.76 20.09 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -37.53 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.692 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.08 120.51 6.23 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 45.0 p -169.8 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 501' ' ' LYS . 11.8 mptt 48.01 79.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -143.83 157.49 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.15 7.14 22.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' C' ' 6' ' ' LYS . 41.0 tt0 -95.81 -55.44 3.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.351 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 57.6 t -43.2 -39.13 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 508' ' ' LEU . 9.7 mp -85.08 -47.89 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -47.01 -8.25 0.02 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 506' ' ' LEU . 32.6 mt -123.3 -58.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.54 -31.66 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.554 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 17.8 tp -63.72 -61.86 6.31 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.772 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.554 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.04 -53.27 6.53 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.402 2.068 . . . . 0.0 111.465 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.7 mt -47.91 -36.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.289 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -70.69 -33.66 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.295 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.65 ' HB1' HD12 ' B' ' 73' ' ' LEU . . . -168.33 78.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.572 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 511' ' ' PRO . 59.8 p -93.01 35.27 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.412 . . . . 0.0 110.089 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.1 OUTLIER 66.73 7.13 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.259 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.447 ' O ' ' O ' ' A' ' 518' ' ' LEU . 3.5 m-20 -159.47 -152.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.456 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.532 ' O ' ' O ' ' A' ' 519' ' ' PRO . 28.2 mt 59.01 143.78 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.686 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.532 ' O ' ' O ' ' A' ' 518' ' ' LEU . 2.6 Cg_endo -47.12 -167.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.857 2.371 . . . . 0.0 112.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.541 ' CG2' ' HB1' ' A' ' 555' ' ' ALA . 17.3 pt -133.09 35.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.618 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -92.79 -80.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 t -71.43 -29.59 65.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 526' ' ' ALA . . . -46.75 -51.82 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.28 -51.42 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.522 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.4 mmt -50.03 -38.05 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.544 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 523' ' ' ALA . . . -59.06 -42.41 90.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.534 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.9 t -59.97 -30.91 69.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.48 -24.03 60.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -71.74 -54.33 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.55 -33.98 70.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.533 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.32 -60.63 2.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.603 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -50.8 -44.6 58.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 535' ' ' VAL . 76.6 t -67.75 -70.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.577 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.39 25.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -46.14 -27.55 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -91.04 -102.39 1.26 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.61 110.44 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.63 -158.85 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -158.85 177.23 11.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 544' ' ' THR . . . -80.78 -49.99 5.45 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -44.05 -62.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 73.4 mt -48.19 -44.97 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.624 ' O ' ' N ' ' A' ' 546' ' ' ILE . 92.7 m -67.34 -75.68 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 543' ' ' THR . 73.2 p -20.93 -56.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 543' ' ' THR . 26.9 p -60.58 -53.25 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.624 ' N ' ' O ' ' A' ' 543' ' ' THR . 0.5 OUTLIER -58.2 -54.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.173 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.55 ' N ' HG22 ' A' ' 546' ' ' ILE . 11.7 tpt -52.69 -37.16 58.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.402 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.7 OUTLIER -64.59 -51.79 60.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.4 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -48.67 -36.6 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.293 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -66.89 -58.76 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.524 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.9 mp -72.26 -64.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.706 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 553' ' ' ARG . 27.9 tp10 -39.78 -42.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 552' ' ' GLU . 6.9 mmm-85 30.07 92.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.838 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -163.84 -27.01 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.034 0 CA-C-O 124.793 2.235 . . . . 0.0 115.652 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.613 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.25 1.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 111.652 -2.522 . . . . 0.0 109.016 171.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.838 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.8 OUTLIER -46.21 -4.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.401 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.616 ' C ' ' O ' ' A' ' 556' ' ' ILE . 4.8 mp0 -20.41 -46.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.731 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.648 ' N ' ' O ' ' A' ' 556' ' ' ILE . 68.2 mt -114.99 -148.92 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.476 ' O ' ' OG1' ' A' ' 560' ' ' THR . 84.4 mttt -157.05 -96.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.703 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 52.47 -100.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.53 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.437 ' H ' ' HG1' ' A' ' 560' ' ' THR . 4.2 p30 -171.19 143.57 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -179.15 -11.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.24 -33.78 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.52 -71.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -50.13 -37.57 34.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.76 -39.22 87.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -61.04 -56.2 23.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 13.0 mt -47.22 -54.27 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -45.36 -64.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 48.9 tp -45.1 -24.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 573' ' ' LEU . . . -83.19 -77.72 1.09 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.4 tt -52.01 -13.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 571' ' ' GLY . 17.2 tp -44.74 -70.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -70.11 -156.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 3.1 ptm -157.71 -0.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 82.92 133.48 2.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -162.39 -37.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.314 . . . . 0.0 110.54 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.738 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . -166.66 91.23 0.1 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.309 1.684 . . . . 0.0 117.309 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 578' ' ' GLY . 34.7 mt-10 26.89 30.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.188 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 578' ' ' GLY . 44.4 tt0 -58.76 -45.57 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.86 -38.96 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.8 OUTLIER -53.38 -49.37 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.571 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.584 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 37.8 t70 -63.27 -67.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 84.4 t -41.86 -53.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 37.0 tp -51.27 -35.84 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 583' ' ' ASP . 7.2 tt0 -59.63 -35.86 75.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.464 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 590' ' ' ALA . 1.9 m -71.37 -51.61 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.6 mt -46.83 -27.2 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 m -92.38 -19.01 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.33 -18.91 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 592' ' ' GLU . 3.8 tp -97.94 152.32 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 591' ' ' ILE . 7.6 mm-40 -60.23 -140.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.531 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 10.4 m170 50.03 48.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.9 Cg_endo -44.36 -15.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.012 2.474 . . . . 0.0 111.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 593' ' ' HIS . 11.4 mmt -59.05 -9.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 11.4 t -79.08 -3.77 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 67.5 m -45.66 -46.32 14.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -46.83 -40.87 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 15.6 mt -78.58 -28.54 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.22 -39.48 92.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 8.8 t -78.46 -37.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -60.91 -66.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.09 -37.44 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.61 -31.27 77.21 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 26.6 t -78.48 -58.14 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 39.3 t -79.91 119.5 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -178.68 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -89.87 -163.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.3 t -161.55 164.89 29.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -176.26 -131.45 1.47 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 50.2 p -66.0 -92.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.737 0.303 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 118.056 -1.414 . . . . 0.0 110.93 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -92.8 111.3 22.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.618 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -104.12 151.42 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.22 143.13 35.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 92.1 t -123.21 102.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -85.54 139.61 31.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.755 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.525 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.9 p -113.9 155.01 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 8' ' ' LEU . 22.9 mt -65.9 7.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.525 ' H ' ' C ' ' B' ' 7' ' ' THR . 70.0 p -101.93 -5.51 24.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 4.33 68.66 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -97.97 134.16 41.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -114.4 132.55 56.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.487 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 13' ' ' ILE . 4.2 mt -117.76 131.36 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -106.53 123.86 48.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.431 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.7 mt -130.36 146.16 51.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.87 0.367 . . . . 0.0 110.79 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.87 125.06 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.44 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -147.05 167.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.771 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.652 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 4.3 mt-10 -125.11 148.67 61.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.355 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.62 -19.46 0.46 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.816 2.344 . . . . 0.0 112.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.3 9.19 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.75 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.652 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.7 m-20 -91.18 142.97 27.17 Favored 'General case' 0 N--CA 1.505 2.282 1 N-CA-C 97.492 -5.003 . . . . 0.0 97.492 -163.182 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 33.3 p -92.42 142.19 27.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 33.7 mm -45.27 -46.87 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.31 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -53.4 -40.27 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -61.98 -46.72 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.179 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.45 -51.0 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.256 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -52.09 -36.16 50.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.207 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.06 91.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -61.15 -35.8 78.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.372 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -70.67 -34.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.487 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -67.31 -32.8 74.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -78.76 -23.21 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -83.97 -58.31 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -89.06 -86.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.567 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.87 5.52 0.05 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.458 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 58.3 mt -78.59 132.26 65.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.301 . . . . 0.0 110.483 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.37 139.69 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.688 2.259 . . . . 0.0 111.864 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.57 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.56 -47.93 14.69 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.774 2.316 . . . . 0.0 112.058 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 3.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.57 ' H ' ' C ' ' B' ' 38' ' ' PRO . 16.6 mm100 -139.69 62.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -155.84 137.78 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 ttp-105 -127.0 105.55 8.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.399 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 31.9 mt -97.44 127.46 43.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -128.15 146.33 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.426 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.622 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 71.1 t80 -132.24 177.35 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.622 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -39.36 -37.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.23 -90.72 0.16 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -147.66 -144.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -89.65 133.86 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.56 135.21 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -99.38 159.23 15.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.97 147.44 51.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.593 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 98.62 -65.63 0.73 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 53' ' ' GLY . 17.2 mmm180 -41.05 166.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.761 0.315 . . . . 0.0 110.684 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.2 p -110.04 171.13 7.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.05 -23.21 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.5 t -76.14 -20.3 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -80.61 9.19 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -138.13 15.24 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m120 55.02 25.9 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.702 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -76.56 97.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.47 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -78.74 -157.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -84.81 157.47 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.09 31.49 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -88.34 132.83 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.3 m -89.08 127.3 35.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -115.97 120.78 40.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.584 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 46.5 m80 -72.93 139.09 46.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.484 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.728 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.4 tt -121.74 127.33 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.457 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.728 ' N ' HD23 ' B' ' 69' ' ' LEU . 18.9 t -130.41 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.516 ' CD1' HD21 ' B' ' 69' ' ' LEU . 3.5 mp -124.84 153.6 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 71' ' ' LEU . 36.3 mtp180 -47.16 177.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.503 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.702 HD22 ' N ' ' B' ' 73' ' ' LEU . 3.6 mm? -50.38 103.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.484 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.508 ' CZ ' HG21 ' A' ' 544' ' ' THR . 68.6 mtt180 -70.25 114.06 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.65 39.45 3.12 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.059 -1.412 . . . . 0.0 110.934 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.475 ' N ' ' O ' ' C' ' 17' ' ' VAL . 23.5 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -95.02 113.17 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -114.52 144.91 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -96.5 146.71 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' C' ' 13' ' ' ILE . 79.2 t -128.58 94.41 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 504' ' ' GLU . 83.1 mttt -81.92 120.84 25.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.53 ' OG1' ' CA ' ' C' ' 10' ' ' GLY . 64.4 p -77.55 148.47 35.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.551 ' O ' HG23 ' C' ' 9' ' ' THR . 1.1 mt -32.73 -49.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.447 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.551 HG23 ' O ' ' C' ' 8' ' ' LEU . 24.2 p -158.59 34.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.386 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . 0.53 ' CA ' ' OG1' ' C' ' 7' ' ' THR . . . -112.26 -109.19 3.0 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.498 ' N ' ' OG1' ' C' ' 7' ' ' THR . 23.3 mtpt -123.56 171.6 9.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 0.0 110.914 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.424 HG23 ' CG ' ' C' ' 6' ' ' LYS . 19.7 m -108.87 86.52 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' C' ' 5' ' ' VAL . 0.0 OUTLIER -72.62 141.77 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.513 ' C ' HD22 ' C' ' 15' ' ' LEU . 28.2 m -114.9 109.26 17.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.699 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.6 mm? -97.96 133.48 42.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -91.44 88.51 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.219 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.602 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.1 m -111.88 -162.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.2 mt-10 -139.04 177.6 2.0 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.993 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -75.14 -25.54 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.775 2.317 . . . . 0.0 112.328 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -0.89 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.21 141.82 45.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.675 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -90.33 147.23 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.7 mm -49.58 -46.34 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.476 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -51.89 -46.84 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.38 -38.98 81.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.96 -52.17 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -51.73 -41.47 61.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.358 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.339 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -55.63 -36.91 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.78 -45.61 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.331 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -55.93 -40.51 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -34.47 78.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.373 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -71.16 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -84.86 -88.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.414 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 167.26 5.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.414 ' H ' ' H ' ' C' ' 35' ' ' GLY . 61.3 mt -80.38 130.63 64.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.0 110.515 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.56 143.26 34.02 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.619 2.213 . . . . 0.0 111.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.21 -63.83 0.3 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.856 2.37 . . . . 0.0 112.005 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -40.75 -21.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.653 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' C' ' 38' ' ' PRO . 29.3 mt-30 -113.8 56.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -151.32 134.72 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -128.75 100.63 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.451 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -81.79 110.8 17.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.598 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.758 HD12 HG21 ' C' ' 70' ' ' VAL . 16.4 mt -109.88 133.97 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -138.69 133.08 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.13 34.71 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.45 49.23 39.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -157.92 120.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.34 129.15 37.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.56 125.93 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -69.14 158.22 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.08 103.66 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.522 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.1 -56.53 0.47 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.422 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 32.7 mmt-85 -49.46 175.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.532 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.454 ' C ' ' H ' ' C' ' 57' ' ' SER . 31.0 p -115.87 161.59 18.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.602 ' CD1' HG21 ' C' ' 17' ' ' VAL . 68.8 mt -65.84 3.0 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.454 ' H ' ' C ' ' C' ' 55' ' ' THR . 6.5 t -96.38 -26.42 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.83 -39.77 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.02 10.34 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 54.73 29.22 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -72.44 98.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -82.58 -165.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -74.25 158.97 33.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.72 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 59.68 30.29 19.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.739 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -84.84 129.93 34.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 7.6 m -88.1 115.12 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.712 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.05 118.17 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -79.56 102.92 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.556 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 tp -82.27 102.19 11.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.444 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.758 HG21 HD12 ' C' ' 44' ' ' ILE . 3.0 t -102.19 140.51 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.629 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.13 161.25 17.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -87.16 -79.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 tp 54.91 93.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.48 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -139.62 53.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.456 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.83 66.92 0.06 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.933 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 26.9 p -63.8 -165.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -168.23 7.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 485' ' ' ILE . 8.9 mm -47.93 -33.35 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.52 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 22.8 p -53.65 -43.92 69.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 30.4 t -54.53 -51.81 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -69.13 -19.5 64.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -68.48 -60.95 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.35 -35.3 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.549 ' C ' HD23 ' A' ' 491' ' ' LEU . 2.7 tt -54.27 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -51.13 -63.02 4.92 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.54 ' O ' ' CE2' ' A' ' 497' ' ' PHE . 4.3 tp -43.67 -43.33 5.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.629 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.49 -49.34 65.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.5 pt -86.8 7.79 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.76 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -86.28 -56.87 3.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.54 ' CE2' ' O ' ' A' ' 493' ' ' LEU . 43.2 p90 -87.92 21.55 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -52.32 -62.59 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -97.77 66.92 0.8 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 97.0 p -172.33 98.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.541 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -85.61 57.45 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 504' ' ' GLU . 21.8 m120 -72.91 124.29 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.616 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.18 -3.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 502' ' ' ASN . 47.8 mt-10 -88.87 -56.76 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.312 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 41.6 t -41.86 -34.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.374 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' A' ' 508' ' ' LEU . 9.0 tp -81.45 -51.23 8.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.478 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -57.06 2.29 0.09 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.573 ' H ' ' C ' ' A' ' 506' ' ' LEU . 69.1 mt -121.23 -52.02 2.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.08 -42.06 89.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.5 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 11.5 tp -56.99 -62.37 5.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.774 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.59 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -45.79 -50.37 9.68 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.534 2.156 . . . . 0.0 111.753 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.414 HG12 HD21 ' C' ' 8' ' ' LEU . 77.5 mt -57.51 -23.1 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -79.69 -33.61 40.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -155.69 56.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.2 OUTLIER -68.47 -10.2 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 515' ' ' SER . 0.2 OUTLIER 80.45 54.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.742 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.464 ' OD1' ' OG ' ' A' ' 515' ' ' SER . 0.4 OUTLIER 173.85 -82.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 518' ' ' LEU . 1.2 pt? -41.78 165.86 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.628 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.98 145.28 28.04 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.869 2.379 . . . . 0.0 111.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 555' ' ' ALA . 17.2 pt -91.01 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.597 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -74.4 -38.16 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -17.93 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.41 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.32 76.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . 0.534 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.5 mpt? -68.45 -47.72 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -61.55 -52.04 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.558 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 61.8 p -48.68 -34.03 11.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -67.65 -66.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.504 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -51.97 -51.57 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.54 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.3 tt -44.59 -51.34 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -67.21 -34.37 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -51.94 -40.94 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 95.0 t -77.62 -48.7 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.549 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 537' ' ' THR . 30.9 m-85 -78.79 16.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 536' ' ' GLY . 11.4 p -49.09 -40.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.498 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -71.47 -81.77 0.29 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 10.1 t -72.15 -168.65 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.425 ' N ' ' OG1' ' A' ' 537' ' ' THR . 22.9 p -160.21 -178.59 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -154.62 173.24 16.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 544' ' ' THR . . . -89.81 -52.49 2.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.67 -33.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.729 0.3 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 543' ' ' THR . 79.8 mt -72.94 -81.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 542' ' ' ILE . 18.2 m -38.75 -44.21 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.677 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 540' ' ' GLY . 40.6 p -52.15 -58.03 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 31.6 p -59.45 -54.8 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.243 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -35.07 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.144 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 6.3 tpt -77.89 -37.82 47.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.297 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.436 ' OD2' ' C ' ' B' ' 72' ' ' ARG . 62.0 m-20 -50.7 -28.61 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.194 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.63 ' O ' ' N ' ' A' ' 553' ' ' ARG . 17.1 m-20 -87.35 -58.12 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.471 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -43.58 -19.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 549' ' ' ASN . 27.7 mt -98.76 -81.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.481 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 554' ' ' THR . 5.2 mt-10 -64.05 -7.47 8.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.72 ' O ' ' C ' ' A' ' 554' ' ' THR . 17.6 mmt180 53.95 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.734 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.4 OUTLIER 35.54 -121.11 0.13 Allowed 'General case' 0 CA--C 1.555 1.143 1 N-CA-C 98.313 -4.699 . . . . 0.0 98.313 -179.547 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.716 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 5.5 63.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.651 -167.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.734 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -115.13 11.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.609 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -71.63 18.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 556' ' ' ILE . 1.1 pt? -69.92 -176.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -147.77 1.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 1.8 t -161.58 178.78 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.441 ' N ' ' OG1' ' A' ' 560' ' ' THR . 8.1 m-20 -51.13 159.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -174.78 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.3 p -52.37 -22.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -61.86 -71.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -56.52 -45.41 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 23.7 tp -46.64 -43.07 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.451 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.61 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 38.8 tp -45.78 -38.76 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -64.71 -64.35 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.41 -17.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -86.23 -77.82 1.22 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.419 ' HA ' HD12 ' A' ' 572' ' ' ILE . 10.2 tp -50.91 -23.24 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.54 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 21.0 tp -40.13 -61.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.674 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -83.88 117.42 23.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -46.6 164.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.553 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . -51.57 144.12 16.31 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 576' ' ' GLY . 44.1 tt0 59.76 127.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.572 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . 155.39 104.17 0.22 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.21 -10.48 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 110.625 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.485 ' H ' ' C ' ' A' ' 578' ' ' GLY . 11.5 tp60 -47.43 -35.37 8.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.05 -40.88 90.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.07 -31.62 69.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.546 ' OD1' ' NE2' ' B' ' 68' ' ' HIS . 40.9 t0 -72.45 -73.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.619 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 34.4 t -43.11 -46.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.65 -38.31 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -57.96 -48.37 80.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 590' ' ' ALA . 5.0 m -52.85 -56.44 15.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -44.87 -35.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 58.2 p -85.66 -19.37 31.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.542 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -70.06 -36.11 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 19.4 tt -89.31 163.65 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -61.83 -137.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 50.3 m80 49.71 73.63 0.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 -24.12 12.21 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.002 2.468 . . . . 0.0 111.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.422 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.8 tpt -49.33 -38.62 28.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 43.6 p -60.78 -4.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.3 t -44.44 -30.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.58 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.53 90.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 17.8 mt -77.05 -36.58 25.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.554 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.12 -37.1 66.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -78.89 -47.28 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 6.6 tp -47.92 -54.53 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.0 -57.68 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -45.98 -26.89 2.23 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -78.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.557 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 23.9 p -82.93 126.99 33.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -175.23 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -80.42 110.73 16.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 30.9 p -62.03 -175.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -56.49 -171.53 0.14 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 17.1 m -75.94 -29.23 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.527 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.715 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.934 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.523 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -125.53 109.22 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.65 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.436 HD12 HD22 ' B' ' 67' ' ' LEU . 19.3 pt -104.46 159.16 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.746 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -116.1 159.02 22.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.491 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.4 t -136.21 109.59 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -90.85 127.85 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -105.13 146.14 29.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.534 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.58 -6.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -90.37 24.36 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.67 76.02 0.22 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -173.76 156.45 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.741 0.305 . . . . 0.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -135.46 131.49 36.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.493 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -114.06 127.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.7 m -101.84 118.76 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -126.55 148.05 49.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.723 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' B' ' 16' ' ' GLU . 23.9 mp0 -92.28 124.35 36.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.9 m -147.5 169.68 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.641 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 20.8 mt-10 -124.92 152.54 70.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.252 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.47 ' O ' ' OG ' ' B' ' 57' ' ' SER . 2.9 Cg_endo -44.99 -31.36 5.38 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.079 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -28.57 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.641 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 4.4 m-20 -45.22 135.62 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.73 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 7.4 p -92.62 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.503 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -42.83 -46.32 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -53.93 -42.17 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 0.7 OUTLIER -61.13 -47.15 87.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.26 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.36 -53.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.265 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' B' ' 41' ' ' GLN . 50.2 mttm -50.58 -35.48 30.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.24 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -63.98 -45.7 87.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.222 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.57 -34.23 73.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.61 -35.88 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -65.96 -37.56 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.465 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -71.46 -31.16 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -76.57 -64.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.5 -88.5 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.04 4.69 0.04 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 47.3 mt -80.07 134.49 56.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 0.0 110.513 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.96 144.24 34.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.647 2.231 . . . . 0.0 111.983 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.62 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.47 -50.96 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.865 2.377 . . . . 0.0 112.041 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' B' ' 40' ' ' GLN . 22.0 m-20 -65.63 28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.773 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.62 ' H ' ' C ' ' B' ' 38' ' ' PRO . 51.2 mt-30 -158.01 49.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.508 ' O ' ' NZ ' ' B' ' 27' ' ' LYS . 72.8 mt-30 -147.14 137.18 23.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -122.85 104.65 9.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.459 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 mt -100.34 131.64 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.549 HG22 ' N ' ' B' ' 45' ' ' PHE . 82.6 mt -132.68 161.7 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.462 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 63.4 t80 -154.14 175.25 13.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.624 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.81 -38.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.92 -90.95 0.12 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -149.28 -142.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -94.3 138.72 31.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.414 ' N ' HD23 ' B' ' 50' ' ' LEU . 7.8 mt -87.09 109.31 19.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.621 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -81.84 158.7 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.527 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.62 146.62 54.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 97.27 -67.51 0.84 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' B' ' 53' ' ' GLY . 18.6 mmt180 -41.34 165.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.635 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 29.8 p -109.95 164.51 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 56' ' ' LEU . 92.0 mt -60.27 -28.08 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.7 m -69.78 -39.42 76.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.6 -39.3 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -90.61 11.67 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 m120 55.5 28.11 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.5 mt -72.74 114.14 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -86.17 -161.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -87.62 160.54 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.718 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 55.93 30.56 16.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -82.77 129.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -88.07 92.02 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.685 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.436 HD22 HD12 ' B' ' 3' ' ' ILE . 7.7 mp -73.51 170.56 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.438 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.546 ' NE2' ' OD1' ' A' ' 583' ' ' ASP . 61.7 m80 -129.01 110.25 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.301 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -93.07 146.77 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.775 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.8 t -148.57 144.07 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.42 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.78 144.73 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.436 ' C ' ' OD2' ' A' ' 548' ' ' ASP . 24.6 ptt85 -61.14 -169.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.904 HD22 ' H ' ' B' ' 73' ' ' LEU . 2.2 mm? -63.15 153.58 33.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -150.05 -131.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.2 82.59 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 117.936 -1.48 . . . . 0.0 110.958 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ttp . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.5 111.87 11.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.39 148.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -101.92 150.72 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' C' ' 13' ' ' ILE . 85.3 t -131.23 91.47 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . 0.407 ' CG ' HG23 ' C' ' 12' ' ' THR . 73.6 mttt -76.51 115.86 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.729 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.806 HG23 ' O ' ' C' ' 11' ' ' LYS . 69.6 p -72.86 142.11 47.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.181 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.631 ' O ' HG23 ' C' ' 9' ' ' THR . 16.4 tp -37.02 -48.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.472 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.631 HG23 ' O ' ' C' ' 8' ' ' LEU . 19.4 p -160.69 71.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.387 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.4 -81.21 0.03 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.806 ' O ' HG23 ' C' ' 7' ' ' THR . 18.6 tttp -153.59 165.08 37.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.701 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.74 ' N ' ' HG2' ' C' ' 11' ' ' LYS . 14.0 m -104.24 96.36 6.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' C' ' 5' ' ' VAL . 1.4 mt -78.26 148.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -123.71 128.22 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.278 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -128.9 139.24 52.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.891 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -89.65 96.92 10.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.307 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' C' ' 56' ' ' LEU . 11.0 m -113.09 -166.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -131.97 173.83 5.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.74 -20.61 15.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.795 2.33 . . . . 0.0 112.343 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -93.61 -11.81 30.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.786 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.64 137.44 56.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.432 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 2.7 p -86.86 156.06 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 37.2 mm -57.03 -51.25 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -52.25 -38.75 59.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.432 ' OD1' ' OG1' ' C' ' 22' ' ' THR . 3.9 m-20 -63.46 -41.94 98.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.257 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.19 -48.12 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.154 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -53.21 -42.57 66.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.123 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.86 95.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.239 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -58.04 -37.17 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 mt -67.69 -42.67 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.408 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -58.55 -33.85 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.363 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.3 -30.53 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -74.64 -60.53 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -90.8 -106.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.53 11.58 0.04 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 67.2 mt -83.27 128.69 63.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.635 0.255 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.2 143.35 35.46 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.59 2.193 . . . . 0.0 111.869 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.603 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.24 -47.17 15.38 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.815 2.343 . . . . 0.0 112.009 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.89 28.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.674 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' C' ' 38' ' ' PRO . 20.6 mt-30 -156.46 44.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.512 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -145.32 158.03 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -149.37 99.8 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.472 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.56 107.01 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.603 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.966 HD12 HG21 ' C' ' 70' ' ' VAL . 48.4 mt -107.49 141.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.417 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -152.05 128.0 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.66 28.37 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.38 24.47 63.2 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -130.32 117.42 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.786 0.327 . . . . 0.0 110.579 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -80.6 135.1 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.98 130.65 35.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -84.72 157.73 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.04 100.45 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 150.11 -64.92 0.39 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.6 mmt-85 -43.62 170.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.489 ' C ' ' H ' ' C' ' 57' ' ' SER . 53.5 p -115.58 162.71 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' C' ' 17' ' ' VAL . 75.8 mt -64.27 3.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.489 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.97 -38.2 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -62.04 -39.02 90.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -82.3 6.01 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 54.9 36.06 25.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 59.7 mt -80.87 99.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -77.17 -157.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.774 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -87.31 162.18 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.714 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 55.39 33.26 20.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.663 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -84.94 167.89 15.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.418 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -123.05 106.87 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.616 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.55 118.63 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.523 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -78.4 97.67 5.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.73 108.97 13.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.435 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.966 HG21 HD12 ' C' ' 44' ' ' ILE . 2.0 t -111.77 141.95 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.591 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -89.41 161.76 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -145.94 152.24 39.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.54 -165.43 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.541 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 64.26 109.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.637 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.48 -80.79 0.13 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.688 0 CA-C-O 118.001 -1.444 . . . . 0.0 110.905 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 54.0 p -50.56 -26.9 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -83.32 56.56 3.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.7 mt -61.89 -30.18 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 19.8 t -49.81 -40.23 41.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.5 p -57.56 -50.21 73.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.89 76.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -53.85 -68.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.1 mm -54.22 -30.9 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.485 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.7 tt -60.37 -62.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.501 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.47 -59.64 6.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.5 mp -58.68 -27.43 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.524 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.66 -61.3 7.64 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.77 -22.5 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.614 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.38 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.532 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 34.9 m-85 -47.62 -42.85 25.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.505 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 12.46 36.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.5 t -145.97 -70.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 37.8 tttp 48.6 67.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.668 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -131.54 170.54 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.42 -4.65 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.54 -39.44 20.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.111 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 26.7 t -49.28 -63.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.24 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.538 ' CD2' HD21 ' A' ' 530' ' ' LEU . 14.1 mt -61.01 -41.65 96.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.457 ' C ' HD12 ' A' ' 508' ' ' LEU . . . -38.75 -35.78 0.39 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 507' ' ' GLY . 10.4 mp -109.7 -40.6 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.828 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 509' ' ' LEU . 2.0 tt -62.21 -51.53 67.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.584 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.2 tp -44.33 -65.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.891 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.584 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.23 -61.15 0.65 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.321 2.014 . . . . 0.0 111.728 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.767 HD11 ' OG1' ' C' ' 9' ' ' THR . 88.7 mt -42.23 -20.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.498 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -92.65 -39.61 11.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 511' ' ' PRO . . . -166.35 70.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.739 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.499 ' C ' ' OG1' ' A' ' 516' ' ' THR . 2.3 m -65.17 -41.53 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.349 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.499 ' OG1' ' C ' ' A' ' 515' ' ' SER . 0.0 OUTLIER 175.24 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.481 ' CG ' ' NH1' ' C' ' 72' ' ' ARG . 18.6 t0 -165.53 72.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.1 mt -128.28 152.32 77.79 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.99 161.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.812 2.342 . . . . 0.0 111.974 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 558' ' ' LEU . 3.0 mt -101.97 -4.88 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.55 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -39.13 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.57 -53.62 49.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -42.77 -67.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.0 mmt -44.31 -49.28 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.57 -56.98 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.6 p -47.49 -22.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.494 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.7 tt -73.54 -68.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.01 -26.69 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 530' ' ' LEU . 3.3 tt -65.97 -59.35 3.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -59.8 -45.91 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.35 -54.85 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' A' ' 535' ' ' VAL . 96.2 t -65.96 -60.75 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.522 ' CE2' HD11 ' A' ' 506' ' ' LEU . 59.5 m-85 -75.9 27.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.475 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.3 p -62.9 -32.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.628 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.08 -70.97 1.28 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 537' ' ' THR . 0.0 OUTLIER -89.2 117.61 28.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.589 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.437 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 20.1 p -88.06 -170.85 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 82.6 m-20 -158.32 -179.66 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 544' ' ' THR . . . -93.49 -57.12 1.38 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.47 -26.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.587 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.427 ' C ' ' N ' ' A' ' 544' ' ' THR . 54.0 mt -80.8 -71.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 8.7 m -47.72 -17.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 540' ' ' GLY . 39.2 p -84.94 -49.58 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 77.3 p -66.25 -45.51 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.207 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 547' ' ' MET . 1.5 mt -59.66 -53.58 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.464 ' N ' HG22 ' A' ' 546' ' ' ILE . 89.4 mmm -59.48 -37.79 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.276 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' B' ' 71' ' ' LEU . 0.9 OUTLIER -64.79 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.264 179.812 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.557 ' C ' HD22 ' A' ' 549' ' ' ASN . 0.2 OUTLIER -66.65 -45.27 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.257 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -57.65 -59.39 5.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.497 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 551' ' ' LEU . 9.5 mp -62.75 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.608 ' HG3' ' OG1' ' A' ' 554' ' ' THR . 9.5 tp10 -42.07 -65.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.402 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.626 ' O ' ' N ' ' A' ' 556' ' ' ILE . 4.1 tpp180 80.41 -40.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.046 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.747 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.3 m -21.07 -40.78 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.652 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -46.39 -5.21 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 172.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.747 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.4 OUTLIER -32.88 -24.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.138 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.657 ' C ' ' O ' ' A' ' 556' ' ' ILE . 57.4 mm-40 -9.39 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.699 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 556' ' ' ILE . 86.8 mt -121.91 170.69 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.323 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -158.19 18.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.766 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 21.5 p -89.25 99.18 12.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 55.64 101.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.483 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.437 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 15.1 p-90 -162.09 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.2 p -46.08 -19.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 562' ' ' TRP . 70.8 mtp85 -72.54 -75.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -53.07 -31.54 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.54 -70.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.77 9.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.635 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.68 -56.19 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -46.64 -62.15 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.519 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 55.2 tp -44.09 -24.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.548 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.17 -67.97 1.54 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 18.9 pt -63.06 -9.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.4 tp -48.74 -26.53 2.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -138.0 96.15 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 64.7 mtp -88.85 41.22 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 577' ' ' GLN . . . 168.09 177.94 39.63 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 577' ' ' GLN . 2.0 mp0 48.51 99.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -80.78 -19.97 66.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -54.57 -65.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.528 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -45.78 -53.98 8.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.84 -48.9 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -44.52 -40.09 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.474 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.47 -54.89 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 23.0 t -45.21 -58.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.8 mt -48.01 -35.3 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -57.35 -37.06 72.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 3.3 m -73.97 -43.58 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.358 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . 0.415 HG13 ' H ' ' A' ' 588' ' ' ILE . 10.8 mt -59.23 -36.36 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 47.4 m -69.46 -43.27 73.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -49.49 -52.36 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 592' ' ' GLU . 19.6 tt -79.53 159.23 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 591' ' ' ILE . 37.2 mt-10 -46.28 174.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.474 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.443 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 1.6 m80 -135.67 53.58 8.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.72 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.8 Cg_endo -44.74 -82.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.913 2.409 . . . . 0.0 111.868 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 597' ' ' SER . 32.5 ttm -106.23 -35.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 t -44.24 -24.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 595' ' ' MET . 36.7 t -41.2 -39.23 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.33 -64.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 74.2 mt -41.96 -48.78 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.555 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -46.85 -50.25 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.29 -51.45 48.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 602' ' ' LEU . 3.9 mm? -55.71 -69.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.9 t -47.12 -33.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -59.48 -44.9 96.33 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 5.2 t -61.05 -37.05 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.41 -169.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 48.03 -160.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.561 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -66.98 119.5 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 30.0 p -60.79 -36.67 79.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -87.61 -144.53 9.23 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 50.1 p 46.25 78.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.793 0 CA-C-O 117.968 -1.462 . . . . 0.0 110.932 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -84.06 116.13 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -113.26 147.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.481 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.03 136.39 44.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.02 107.77 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.162 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -90.71 129.42 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.485 ' C ' ' H ' ' B' ' 9' ' ' THR . 4.7 p -109.71 146.08 35.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 8' ' ' LEU . 72.3 mt -48.8 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.485 ' H ' ' C ' ' B' ' 7' ' ' THR . 4.5 p -81.33 3.08 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.547 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -3.23 59.17 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.04 139.33 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -112.57 158.93 19.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -139.49 136.64 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.756 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -101.31 130.77 47.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -128.98 130.22 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.796 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -89.02 99.11 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.501 HG21 ' CD1' ' B' ' 56' ' ' LEU . 18.1 m -126.52 -166.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.756 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.496 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 2.0 mm-40 -136.98 178.51 1.69 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.169 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.83 -27.19 10.58 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.744 2.296 . . . . 0.0 112.188 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.05 0.46 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.661 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 2.4 m-20 -72.93 137.62 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.533 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -87.49 141.49 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mm -46.18 -51.63 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -49.06 -41.85 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.299 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -42.4 97.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.239 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.42 -51.84 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.249 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -49.72 -40.62 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.222 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.07 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -58.93 -36.94 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.364 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.95 -46.83 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.318 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -54.5 -33.22 59.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 32' ' ' ASP . 51.6 t0 -75.49 -33.26 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -71.73 -60.23 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -92.62 -87.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 167.48 3.75 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.446 ' H ' ' H ' ' B' ' 35' ' ' GLY . 63.6 mt -73.02 129.3 86.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.633 0.254 . . . . 0.0 110.522 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.92 141.75 30.53 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.655 2.237 . . . . 0.0 111.956 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.01 -65.41 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.852 2.368 . . . . 0.0 112.068 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.5 m-20 -37.87 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' B' ' 38' ' ' PRO . 5.5 mt-30 -105.61 60.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -153.45 134.27 13.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.696 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.505 HH21 HG11 ' B' ' 70' ' ' VAL . 6.9 mtm180 -128.78 103.76 7.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.418 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.24 123.47 37.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.3 mt -121.21 145.27 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.615 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 79.2 t80 -154.77 177.71 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.615 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -46.54 -14.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -104.29 26.76 21.86 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 45' ' ' PHE . 39.2 tttt 69.22 -150.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.307 . . . . 0.0 110.623 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -76.15 128.14 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.49 126.72 33.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -90.0 158.43 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.67 163.13 28.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 87.22 -56.92 4.57 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 15.4 mmt180 -45.92 173.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.754 0.311 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -121.91 160.36 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.501 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.1 mt -61.85 -10.08 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.4 p -86.67 -35.68 19.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -59.12 -41.58 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.41 4.68 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.453 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 60.95 23.76 13.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -67.91 99.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.458 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -78.9 -157.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -83.92 161.16 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.799 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 55.75 34.11 22.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.3 m -88.45 131.82 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -93.89 105.33 17.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.512 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -91.61 127.31 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -83.19 97.93 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.607 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -85.3 150.33 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.696 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.505 HG11 HH21 ' B' ' 42' ' ' ARG . 42.1 t -144.1 153.87 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.437 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.1 mp -105.25 167.74 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.645 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' B' ' 73' ' ' LEU . 28.6 ttp180 -63.22 168.26 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.436 HD12 ' C ' ' B' ' 73' ' ' LEU . 1.3 tp -71.17 46.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' B' ' 72' ' ' ARG . 25.2 ptt180 -68.93 -173.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.93 80.07 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.011 -1.439 . . . . 0.0 110.934 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -86.36 108.95 18.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 10.5 pt -113.08 150.76 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.501 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.08 142.68 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' C' ' 13' ' ' ILE . 93.8 t -125.27 94.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.287 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -76.87 120.6 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.763 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.606 HG23 ' O ' ' C' ' 11' ' ' LYS . 67.1 p -67.81 144.68 55.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' C' ' 7' ' ' THR . 0.8 OUTLIER -28.56 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.595 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.767 ' OG1' HD11 ' A' ' 512' ' ' ILE . 0.2 OUTLIER -172.96 64.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.405 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.27 -101.41 0.22 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.606 ' CG ' ' N ' ' C' ' 12' ' ' THR . 15.0 tttt -118.1 166.38 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.606 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.3 m -110.94 108.38 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.45 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' C' ' 5' ' ' VAL . 5.5 mt -86.98 141.52 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -114.22 124.23 51.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.329 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -120.0 134.41 55.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -88.12 73.67 8.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.4 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' C' ' 56' ' ' LEU . 6.5 m -91.05 -168.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.576 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.6 mt-10 -143.62 146.9 37.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.19 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.55 -28.04 3.96 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.853 2.369 . . . . 0.0 112.39 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.3 22.06 4.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.887 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.576 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 11.3 m-20 -95.88 134.84 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.553 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 4.0 p -81.83 137.64 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.67 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 33.2 mm -45.12 -51.23 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.319 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -48.82 -42.58 36.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.82 -42.45 97.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.88 -46.13 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.141 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -55.32 -39.82 70.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.253 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.96 85.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.261 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -56.07 -43.89 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.283 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.93 -32.71 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.399 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.57 -31.72 72.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.436 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -79.27 -21.34 46.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -85.76 -58.33 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -93.86 -93.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.3 24.75 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.459 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 45.1 mt -93.3 103.91 10.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.632 0.253 . . . . 0.0 110.493 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -44.7 137.58 8.72 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.664 2.243 . . . . 0.0 111.919 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.0 -41.98 20.76 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.881 2.387 . . . . 0.0 112.08 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.79 26.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.712 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.4 mt-30 -152.28 50.71 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -149.38 148.25 29.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -142.21 96.96 3.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.431 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.99 108.88 10.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.716 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.919 HD12 HG21 ' C' ' 70' ' ' VAL . 52.4 mt -103.03 124.05 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.383 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 57.2 t80 -127.01 -106.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.561 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -61.47 72.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' C' ' 45' ' ' PHE . . . 42.25 29.46 0.65 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -155.4 156.27 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.585 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -91.28 141.87 28.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.6 115.97 21.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.552 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -68.92 157.7 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -73.03 160.96 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.18 -66.66 3.48 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' C' ' 53' ' ' GLY . 11.0 mmt85 -42.49 168.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.487 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.1 p -112.3 167.76 10.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.54 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.455 ' CD1' HG21 ' C' ' 17' ' ' VAL . 62.8 mt -64.17 -25.7 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.487 ' C ' ' H ' ' C' ' 59' ' ' TYR . 67.4 p -67.32 -29.69 69.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.577 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -73.97 21.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' C' ' 57' ' ' SER . 88.4 m-85 -148.79 9.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 55.81 28.84 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.71 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -75.92 96.14 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.36 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.32 -157.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -87.06 160.25 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.806 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 57.35 34.01 24.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 29.0 m -86.45 169.53 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.424 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -124.85 119.81 29.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mt -111.33 118.34 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -79.98 95.26 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.25 112.99 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.919 HG21 HD12 ' C' ' 44' ' ' ILE . 6.5 t -110.81 127.27 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' C' ' 72' ' ' ARG . 23.5 mt -67.21 164.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' A' ' 517' ' ' ASP . 47.9 ttt-85 57.2 160.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.532 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.491 ' C ' HD12 ' C' ' 73' ' ' LEU . 0.4 OUTLIER -157.89 -172.78 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 ttt-85 -146.45 91.91 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.54 -130.73 2.06 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.786 0 CA-C-O 117.998 -1.446 . . . . 0.0 110.971 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 484' ' ' LYS . 39.1 m-20 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 51.0 p -77.01 20.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.517 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 482' ' ' ASP . 30.7 mmtp -79.58 7.22 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 10.0 mm -60.37 -12.52 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.6 p -61.0 -37.19 81.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 7.7 t -69.79 -42.75 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.62 -15.29 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 6.7 tp -64.82 -31.86 55.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.79 -73.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.523 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.27 -38.58 6.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 38.8 tp -64.14 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -47.69 85.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 12.7 tt -82.43 -5.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.45 -81.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 497' ' ' PHE . 0.1 OUTLIER -78.43 31.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.638 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.423 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -38.62 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 497' ' ' PHE . . . -110.13 128.38 8.83 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 30.4 t -164.88 -72.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 46.4 tttp 61.12 64.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -130.36 162.08 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.35 -3.59 57.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -88.27 -47.13 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.25 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 509' ' ' LEU . 53.7 t -40.81 -55.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 508' ' ' LEU . 6.6 mp -72.95 -41.28 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -38.2 -24.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 506' ' ' LEU . 7.7 tp -129.12 -42.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.345 . . . . 0.0 110.752 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 505' ' ' VAL . 31.1 tp -61.3 -32.02 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.788 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.557 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 14.4 tp -61.95 -63.02 4.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.673 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.557 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.57 -46.69 17.09 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.349 2.033 . . . . 0.0 111.442 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' C' ' 9' ' ' THR . 89.8 mt -52.1 -34.92 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.249 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -77.33 -36.24 54.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -163.98 83.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.688 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 516' ' ' THR . 74.2 p -90.22 16.57 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 515' ' ' SER . 1.0 OUTLIER 88.29 -0.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.744 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -174.99 70.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.465 ' CD1' ' OG ' ' A' ' 515' ' ' SER . 27.8 mt -144.75 150.3 46.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.444 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.25 170.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.836 2.358 . . . . 0.0 111.959 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 558' ' ' LEU . 16.6 mt -106.55 -29.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.433 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -50.52 -95.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 9.4 m -40.7 -49.6 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.44 -53.07 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -50.17 -49.4 52.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.1 mtt -61.09 -55.57 30.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -52.78 -34.66 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.0 p -58.06 -46.71 84.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 531' ' ' ALA . 4.6 tp -57.71 -55.76 30.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.493 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -46.71 -36.64 7.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.6 OUTLIER -64.67 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.415 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.41 -38.07 50.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.522 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -57.83 -48.34 80.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.09 -59.35 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -84.69 22.94 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.2 p -49.63 -32.05 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -81.97 -85.55 0.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 60.5 p -65.05 -170.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 95.6 m -151.02 -175.23 5.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.57 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 21.0 t-20 -160.49 -179.97 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -99.39 -51.93 1.28 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.486 ' N ' HH21 ' B' ' 74' ' ' ARG . 23.8 m-20 -37.66 -34.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 546' ' ' ILE . 7.1 mt -80.15 -67.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 27.1 m -46.45 -18.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.475 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.517 ' O ' ' OD2' ' A' ' 548' ' ' ASP . 11.8 p -82.11 -51.74 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.9 p -68.76 -46.88 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.177 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 542' ' ' ILE . 2.0 mt -55.2 -55.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.343 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.458 ' N ' HG22 ' A' ' 546' ' ' ILE . 91.7 mmm -59.25 -48.74 80.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.382 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.517 ' OD2' ' O ' ' A' ' 544' ' ' THR . 1.7 m-20 -52.36 -36.83 54.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 553' ' ' ARG . 11.1 t-20 -61.73 -55.76 26.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.266 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.438 ' CZ ' ' CD2' ' A' ' 566' ' ' LEU . 19.2 m-85 -43.24 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.432 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 551' ' ' LEU . 6.7 mp -90.03 -78.83 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.516 ' OE2' ' NH2' ' B' ' 42' ' ' ARG . 30.0 mm-40 -45.25 -43.12 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.66 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.634 ' O ' ' N ' ' A' ' 555' ' ' ALA . 0.0 OUTLIER 65.41 -94.11 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.096 1 N-CA-C 98.63 -4.581 . . . . 0.0 98.63 -179.713 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.1 OUTLIER 55.51 -67.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.263 -168.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.726 ' O ' ' N ' ' A' ' 557' ' ' GLU . . . -18.15 -32.29 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 167.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.742 ' O ' ' N ' ' A' ' 558' ' ' LEU . 96.9 mt -1.17 -57.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.273 2.327 0 CA-C-O 115.772 -2.061 . . . . 0.0 110.994 163.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.726 ' N ' ' O ' ' A' ' 555' ' ' ALA . 64.6 mm-40 9.38 -66.69 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 121.829 2.104 . . . . 0.0 111.144 171.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.742 ' N ' ' O ' ' A' ' 556' ' ' ILE . 4.4 mm? -107.71 164.11 12.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.428 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.452 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.8 tttp -126.68 -101.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 22.0 p 50.14 -95.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -145.86 158.54 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 31.0 p90 -163.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.635 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.624 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 11.3 p -50.95 -20.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.563 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -71.55 -75.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.39 -42.44 98.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 550' ' ' PHE . 13.0 tp -52.32 -37.52 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.623 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.19 -55.22 15.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 66.2 mt -45.04 -48.97 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -57.96 -68.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 54.8 tp -46.57 -23.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 573' ' ' LEU . . . -86.52 -77.79 1.23 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.25 -21.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.345 . . . . 0.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 571' ' ' GLY . 20.5 tp -52.52 -57.51 9.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 575' ' ' MET . 65.9 m-85 -92.26 130.63 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.6 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 574' ' ' TYR . 31.0 mtm -57.15 -157.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -70.07 -116.11 0.04 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -59.93 123.42 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -169.11 133.79 2.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.89 -17.87 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.83 -40.91 81.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.68 -39.34 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.1 -32.56 69.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.541 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 15.7 t70 -75.91 -62.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 92.6 t -49.7 -49.57 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 28.3 tp -53.35 -45.8 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.46 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -49.79 -48.45 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 2.0 m -55.49 -55.04 36.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.442 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 53.9 mt -49.43 -39.96 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.436 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 9.5 t -74.38 -29.1 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.402 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 47' ' ' GLY . . . -52.91 -57.58 9.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.544 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 592' ' ' GLU . 81.3 mt -81.54 123.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.49 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 591' ' ' ILE . 52.7 mt-10 -42.84 -97.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 595' ' ' MET . 5.3 m-70 40.27 78.11 0.39 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.68 28.21 0.35 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.004 2.47 . . . . 0.0 112.087 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.413 ' H ' ' C ' ' A' ' 593' ' ' HIS . 16.2 mtt -89.95 -37.77 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 7.3 t -83.31 -2.21 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.7 t -40.09 -31.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.75 -55.73 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.51 -44.52 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -46.01 -55.97 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.1 t -55.74 -32.4 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.474 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.496 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -72.16 -65.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.66 -26.49 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -70.22 -57.73 6.63 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.9 t -45.71 -43.43 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.514 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.3 m -80.87 -178.2 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 45.74 -150.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -62.2 121.77 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 99.1 m -55.95 -32.58 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 67.14 177.48 9.4 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 5.3 t -77.83 39.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.624 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 117.988 -1.451 . . . . 0.0 110.906 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -109.55 112.2 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.75 156.04 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.485 ' O ' HD12 ' B' ' 67' ' ' LEU . 60.4 m-85 -113.8 140.1 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.655 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.0 t -118.77 106.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.21 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 583' ' ' ASP . 17.0 ttpt -88.12 137.95 31.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.481 ' O ' ' N ' ' B' ' 9' ' ' THR . 30.9 p -103.96 143.28 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 8' ' ' LEU . 83.0 mt -45.17 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.538 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.481 ' N ' ' O ' ' B' ' 7' ' ' THR . 1.5 p -78.52 -53.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.481 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.415 ' N ' ' OG1' ' B' ' 9' ' ' THR . . . 145.55 0.91 0.79 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -85.68 129.77 34.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -111.01 121.4 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.417 HD13 HG21 ' B' ' 13' ' ' ILE . 2.7 mt -107.15 127.83 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.64 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.483 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 3.6 m -101.8 125.26 48.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.414 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -129.55 139.13 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.863 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -83.57 113.6 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.117 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -139.39 168.64 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.681 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 68.4 mt-10 -122.45 149.33 54.99 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.272 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -21.4 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.946 2.431 . . . . 0.0 112.427 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -91.9 -18.66 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.681 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 7.5 m-20 -45.11 136.57 4.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 173.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.454 ' O ' ' N ' ' B' ' 25' ' ' ASN . 7.3 p -88.39 134.02 33.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -40.98 -52.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -38.14 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.146 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' B' ' 22' ' ' THR . 13.2 t-20 -63.48 -48.3 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.06 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -55.23 -46.44 77.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.128 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.88 -38.12 69.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.55 81.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.76 -40.11 78.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.261 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.85 -37.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -64.71 -35.72 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -69.3 -29.52 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -80.72 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -85.94 -84.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.598 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 151.68 13.02 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.468 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 55.3 mt -83.85 118.82 72.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.682 0.277 . . . . 0.0 110.532 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.22 136.79 14.49 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.66 2.24 . . . . 0.0 111.847 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.7 -67.44 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.764 2.309 . . . . 0.0 111.992 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -42.8 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 38' ' ' PRO . 53.4 mm-40 -101.91 57.11 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.584 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 69.6 mt-30 -153.07 134.24 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.652 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.516 ' NH2' ' OE2' ' A' ' 552' ' ' GLU . 11.6 ttm180 -123.87 106.79 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -102.09 113.52 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.755 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -106.91 133.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.268 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.628 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 64.4 t80 -123.6 171.33 9.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.628 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -50.22 83.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 150.89 -82.9 0.18 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -152.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.646 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -101.35 146.22 27.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.14 106.84 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.61 158.58 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 163.67 9.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 81.09 -68.74 3.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' B' ' 53' ' ' GLY . 16.4 mmt180 -42.59 169.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.721 0.295 . . . . 0.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.423 ' OG1' ' OG ' ' B' ' 57' ' ' SER . 71.6 p -116.82 171.27 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.524 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.72 2.18 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 59' ' ' TYR . 80.1 p -90.77 -33.97 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.61 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' B' ' 58' ' ' ASP . 0.4 OUTLIER -73.91 24.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.49 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.0 m-85 -148.32 3.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.521 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER 55.68 37.1 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -84.9 108.38 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.464 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -89.01 -170.67 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.666 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -73.32 160.61 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 55.03 26.73 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 m -85.28 129.75 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.7 m -91.14 134.7 34.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.485 HD12 ' O ' ' B' ' 4' ' ' PHE . 5.4 mp -117.32 174.77 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.541 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 17.9 m80 -123.82 105.93 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.222 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.4 tp -90.8 138.49 31.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.786 HG12 ' H ' ' B' ' 71' ' ' LEU . 8.9 t -148.25 177.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.338 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.786 ' H ' HG12 ' B' ' 70' ' ' VAL . 1.3 pt? -161.75 155.52 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' B' ' 71' ' ' LEU . 59.9 mtt180 -39.16 167.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.863 HD22 ' H ' ' B' ' 73' ' ' LEU . 3.3 mm? -38.15 108.13 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.399 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.486 HH21 ' N ' ' A' ' 541' ' ' ASP . 31.0 ttp180 -79.08 100.97 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.84 -127.03 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.535 ' OXT' ' CG ' ' C' ' 68' ' ' HIS . . . . . . . . 0 C--O 1.221 -0.671 0 CA-C-O 118.062 -1.41 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.457 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -86.92 121.65 29.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.484 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -127.94 147.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.639 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.08 150.82 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' C' ' 13' ' ' ILE . 61.0 t -131.9 95.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.337 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . 0.402 ' CG ' HG23 ' C' ' 12' ' ' THR . 70.0 mttt -79.43 122.8 26.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' C' ' 11' ' ' LYS . 16.9 p -73.64 141.94 46.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.883 ' O ' HG23 ' C' ' 9' ' ' THR . 0.6 OUTLIER -31.66 -39.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.5 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.883 HG23 ' O ' ' C' ' 8' ' ' LEU . 0.8 OUTLIER -173.86 71.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.326 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.99 -91.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.576 ' CG ' ' N ' ' C' ' 12' ' ' THR . 0.4 OUTLIER -133.44 166.7 21.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.384 . . . . 0.0 110.732 -179.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.576 ' N ' ' CG ' ' C' ' 11' ' ' LYS . 14.6 m -111.13 102.17 10.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.499 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' C' ' 5' ' ' VAL . 2.9 mt -83.8 148.29 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -125.59 127.62 46.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -123.86 147.07 47.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.954 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -98.38 86.44 3.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.252 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.568 HG21 ' CD1' ' C' ' 56' ' ' LEU . 15.7 m -104.38 -169.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.429 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 76.7 mt-10 -137.68 147.0 55.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.305 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.85 -17.31 0.26 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.86 2.374 . . . . 0.0 112.382 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -101.59 22.36 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 2.9 m-20 -94.25 132.52 38.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.47 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -81.55 141.87 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 mm -45.6 -53.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.45 -39.21 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.388 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 12.7 t-20 -63.41 -49.78 72.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.429 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.73 -53.17 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.252 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.438 ' HG2' ' HZ3' ' C' ' 27' ' ' LYS . 63.3 mttm -51.94 -34.53 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.282 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.354 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -57.39 -33.98 68.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . 0.402 HG21 HD13 ' C' ' 30' ' ' ILE . 13.1 mt -67.84 -41.75 85.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.405 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -61.15 -40.74 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -67.01 -28.54 68.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -77.76 -64.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.568 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -87.24 -109.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.04 21.62 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.463 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 41.7 mt -96.47 101.9 10.0 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.642 0.258 . . . . 0.0 110.492 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.08 144.43 3.95 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.665 2.243 . . . . 0.0 111.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.77 -61.64 0.57 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.736 2.29 . . . . 0.0 111.972 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -41.82 -34.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -93.93 55.37 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.743 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.6 mt-30 -153.34 154.46 34.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.47 ' NH2' ' O ' ' A' ' 515' ' ' SER . 34.3 ttp180 -153.33 95.05 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.44 119.98 21.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.657 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.872 HD12 HG21 ' C' ' 70' ' ' VAL . 31.9 mt -119.02 140.27 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' C' ' 48' ' ' LYS . 82.1 t80 -147.89 141.75 25.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.52 40.52 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.45 40.45 99.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' C' ' 45' ' ' PHE . 58.5 mttp -145.42 119.41 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.559 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -75.83 132.46 40.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.64 119.69 27.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -71.58 158.42 36.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.69 104.75 13.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 148.86 -62.47 0.42 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.439 ' H ' ' HG2' ' C' ' 54' ' ' ARG . 7.5 mmt-85 -46.53 175.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -115.35 172.63 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' C' ' 17' ' ' VAL . 83.1 mt -68.4 -16.18 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 30.3 p -76.73 -32.63 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.68 -39.9 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.68 23.24 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 p30 40.44 31.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.75 100.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.364 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.39 -164.24 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -78.57 161.25 27.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.659 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 57.76 32.78 22.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.611 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m -87.13 129.84 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -91.47 92.26 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.05 124.27 27.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . 0.535 ' CG ' ' OXT' ' B' ' 76' ' ' GLY . 65.0 m80 -83.67 96.44 8.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 21.4 tp -77.74 114.72 16.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.872 HG21 HD12 ' C' ' 44' ' ' ILE . 3.4 t -111.95 138.75 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.68 166.75 15.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.598 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -137.1 145.77 44.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -171.98 64.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 19.0 ttp-105 -78.34 104.14 8.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.97 74.91 0.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 CA-C-O 117.967 -1.463 . . . . 0.0 110.875 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 483' ' ' THR . 2.8 p30 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 484' ' ' LYS . 77.6 p -47.22 -96.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.418 ' N ' ' OG1' ' A' ' 483' ' ' THR . 37.1 mmtm -75.39 112.45 11.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.502 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 80.3 mt -51.09 -19.05 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 70.2 m -62.48 -57.98 9.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.579 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 27.4 p -48.61 -30.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.44 73.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.41 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 490' ' ' ILE . 9.2 mm -45.49 -46.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.6 tp -45.88 -63.23 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.64 -67.69 1.57 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.544 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.1 mp -43.05 -32.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.524 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -58.62 -63.56 5.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.696 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.7 pp -74.97 8.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -87.87 -72.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.583 ' C ' ' H ' ' A' ' 499' ' ' GLY . 56.2 p90 -81.98 23.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.567 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 499' ' ' GLY . . . -65.65 12.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -40.02 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 58.6 m -170.07 -33.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 110.629 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -164.54 94.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -115.51 131.38 56.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 15.7 p-10 -84.94 -12.3 53.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -80.25 -24.38 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.999 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 497' ' ' PHE . 24.6 t -74.5 -64.21 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.192 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 510' ' ' LEU . 1.7 tp -55.69 -27.81 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -64.93 -61.04 6.17 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 511' ' ' PRO . 65.8 mt -84.67 -46.59 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 509' ' ' LEU . 0.2 OUTLIER -50.59 -57.02 9.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.614 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.3 tp -44.23 -65.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.984 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.688 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.7 Cg_endo -46.69 -63.38 0.33 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.311 2.007 . . . . 0.0 111.785 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.47 -20.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.566 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 510' ' ' LEU . . . -87.56 -34.5 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.605 ' C ' ' H ' ' A' ' 516' ' ' THR . . . -153.35 37.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.688 ' N ' ' O ' ' A' ' 511' ' ' PRO . 1.4 p -58.23 1.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.605 ' H ' ' C ' ' A' ' 514' ' ' ALA . 0.2 OUTLIER 80.34 101.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 516' ' ' THR . 11.2 t0 77.04 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 2.2 pp -173.95 147.71 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.21 110.05 0.22 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.798 2.332 . . . . 0.0 111.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.45 HD11 ' O ' ' A' ' 558' ' ' LEU . 6.9 pt -88.46 26.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -73.78 -38.87 64.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.2 t -101.79 -15.47 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.87 -20.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -80.02 -79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 69.9 mtp -45.38 -35.13 3.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -67.3 -56.83 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 58.6 p -46.53 -42.41 15.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.57 -51.88 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.564 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -45.6 -38.95 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.0 OUTLIER -63.69 -46.79 83.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -62.32 -34.4 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -58.31 -47.33 84.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 535' ' ' VAL . 95.6 t -78.06 -55.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.77 7.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 536' ' ' GLY . 14.7 p -46.3 -42.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.529 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -76.74 -69.62 1.37 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 89.9 m -82.13 113.27 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.81 -175.05 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -171.65 112.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.36 49.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 544' ' ' THR . 67.6 m-20 -41.67 -37.94 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.708 0.289 . . . . 0.0 110.604 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.44 -46.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 12.8 m -65.87 -46.19 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 19.4 p -46.74 -58.69 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.13 -58.62 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.341 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -30.71 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.409 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.4 tpt -73.88 -50.73 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.02 -40.09 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.37 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 553' ' ' ARG . 5.0 t30 -70.67 -58.14 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -40.59 -30.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.652 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.5 -76.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.426 ' OE2' ' NE ' ' B' ' 42' ' ' ARG . 67.6 mm-40 -51.56 -19.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.582 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 549' ' ' ASN . 10.2 mmt85 42.21 45.85 3.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.742 ' O ' ' N ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -87.94 -152.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.52 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 554' ' ' THR . . . 35.36 22.53 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.742 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.1 tp -93.28 2.58 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -49.67 -11.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 556' ' ' ILE . 21.7 tp -136.09 94.77 3.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.586 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 560' ' ' THR . 95.0 mttt -84.82 140.92 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 54.4 m -169.2 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.528 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 560' ' ' THR . 68.5 m-20 -158.39 124.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.589 ' CZ2' HD11 ' A' ' 556' ' ' ILE . 10.4 p-90 -167.01 -30.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.623 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 97.3 t -45.67 -38.14 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -57.8 -76.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -50.96 -50.41 58.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 44.2 tp -46.16 -50.5 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.86 75.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.38 -52.36 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -52.05 -64.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 4.1 tp -49.86 -11.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -91.47 -76.21 1.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 7.0 tp -50.45 -25.24 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.623 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.6 tp -41.33 -72.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.437 ' CZ ' ' NE2' ' A' ' 580' ' ' GLN . 66.2 m-85 -75.5 121.46 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 6.1 mmt -79.29 -55.87 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -127.67 -150.05 7.28 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 54.9 67.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -54.31 -33.54 52.85 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.37 -51.05 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.6 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.437 ' NE2' ' CZ ' ' A' ' 574' ' ' TYR . 0.1 OUTLIER -44.76 -56.18 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 42.6 t -49.27 -51.87 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.595 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -40.93 -44.11 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.88 ' CG ' ' HE2' ' B' ' 68' ' ' HIS . 17.2 t70 -62.02 -50.95 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 91.2 t -50.54 -56.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 44.0 mt -45.96 -46.27 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -49.27 -44.92 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.5 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 590' ' ' ALA . 3.7 m -59.6 -66.45 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 72.3 mt -42.64 -46.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 6.8 t -67.24 -34.08 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.513 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 587' ' ' THR . . . -47.67 -44.72 27.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.478 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 592' ' ' GLU . 93.4 mt -90.61 155.84 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 591' ' ' ILE . 61.7 mt-10 -60.21 -116.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.563 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.2 OUTLIER 44.8 74.7 0.75 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 4.8 4.67 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.959 2.439 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 21.2 mmt -78.13 -22.03 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 6.9 p -82.03 -4.0 55.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.614 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 82.0 p -43.18 -49.67 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -48.44 -38.12 18.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.541 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.1 mt -73.09 -49.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -45.61 -43.29 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.01 -38.05 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.3 tt -58.12 -67.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.524 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.77 -34.94 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.93 95.1 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 6.1 t -61.93 -52.8 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.0 m -80.37 121.27 25.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.34 -168.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 42.67 -160.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 45.9 p -77.28 -65.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.605 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -51.61 135.5 33.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 16.0 p -75.66 -168.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.794 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.931 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.56 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.459 ' O ' ' OE2' ' B' ' 64' ' ' GLU . 96.5 mt-30 -99.82 105.32 17.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 pt -96.51 145.71 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -102.18 131.02 48.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 t -111.88 107.55 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.217 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.407 ' NZ ' ' OD1' ' A' ' 583' ' ' ASP . 22.4 ttpt -85.79 134.36 33.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.687 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.517 ' C ' ' H ' ' B' ' 9' ' ' THR . 16.4 p -111.7 145.58 39.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.555 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.03 -5.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.517 ' H ' ' C ' ' B' ' 7' ' ' THR . 16.1 p -88.26 -5.78 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.02 -7.26 81.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -89.97 141.05 29.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.5 m -117.41 144.23 45.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mt -123.71 141.37 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.576 ' C ' HD22 ' B' ' 15' ' ' LEU . 3.0 m -109.22 112.91 25.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.888 HD22 ' N ' ' B' ' 15' ' ' LEU . 1.7 mm? -109.2 126.88 53.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.92 86.34 6.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.5 m -113.44 170.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.735 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 45.0 mm-40 -127.22 151.7 74.92 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.11 -26.14 2.11 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.873 2.382 . . . . 0.0 112.366 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 22.33 7.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.765 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.735 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 15.0 m-20 -94.06 137.37 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.543 ' OG1' ' ND2' ' B' ' 25' ' ' ASN . 2.5 p -86.48 143.63 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.9 mm -48.63 -41.45 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.474 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.97 -41.1 77.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.451 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.672 HD22 ' N ' ' B' ' 25' ' ' ASN . 0.8 OUTLIER -64.1 -40.22 95.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.39 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -62.32 -51.6 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.399 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -53.08 -42.33 65.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.76 76.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -55.64 -38.04 69.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.347 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.47 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.382 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.66 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -64.85 -30.83 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -74.97 -63.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -85.24 -87.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 163.85 6.77 0.04 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 41.0 mt -79.68 135.61 56.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.723 0.297 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -74.38 139.22 25.77 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.696 2.264 . . . . 0.0 111.971 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.611 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.28 -45.72 18.07 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.744 2.296 . . . . 0.0 112.075 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.9 22.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.611 ' H ' ' C ' ' B' ' 38' ' ' PRO . 61.2 mt-30 -154.07 50.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -149.3 143.1 25.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.426 ' NE ' ' OE2' ' A' ' 552' ' ' GLU . 37.0 ttm105 -134.23 108.62 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.09 128.37 46.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.631 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -125.98 134.48 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.478 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.9 t80 -117.33 175.28 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.523 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.587 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -40.49 -29.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.42 -89.58 0.66 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -146.58 -149.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.543 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.1 137.48 33.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -87.68 111.27 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.418 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 1.3 mp0 -79.99 157.67 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.24 147.74 52.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 100.3 -68.94 0.5 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -43.28 166.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.684 0.278 . . . . 0.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.439 ' HG1' ' HG ' ' B' ' 57' ' ' SER . 40.5 p -112.69 174.46 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.636 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.05 -15.39 61.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.439 ' HG ' ' HG1' ' B' ' 55' ' ' THR . 5.7 p -80.5 -15.98 55.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.647 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.2 -4.72 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.53 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -120.09 11.23 11.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.684 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 55.94 27.42 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -76.36 119.09 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -93.72 -165.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.97 157.8 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.459 ' OE2' ' O ' ' B' ' 2' ' ' GLN . 5.0 mm-40 57.9 24.37 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.574 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.8 m -77.24 130.69 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 m -90.88 106.5 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -93.49 169.75 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.88 ' HE2' ' CG ' ' A' ' 583' ' ' ASP . 7.9 m80 -117.8 108.23 15.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.392 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -94.36 142.4 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -146.46 127.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.12 161.06 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -57.48 -161.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.482 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.806 HD22 ' N ' ' B' ' 73' ' ' LEU . 2.8 mm? -71.71 85.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.434 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.431 ' CZ ' ' OD1' ' A' ' 541' ' ' ASP . 56.8 ttt180 -55.74 103.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.4 48.7 1.22 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.759 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.921 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -85.03 112.8 20.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.3 pt -118.63 152.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.641 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.445 ' CE1' ' OG1' ' C' ' 14' ' ' THR . 96.4 m-85 -107.27 147.78 29.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.612 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.1 t -131.79 95.42 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.7 120.99 24.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.762 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.942 HG23 ' O ' ' C' ' 11' ' ' LYS . 30.1 p -74.36 142.59 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.139 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.578 HD22 HG13 ' C' ' 70' ' ' VAL . 18.8 tp -43.45 -41.59 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.296 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.567 HG23 ' O ' ' C' ' 8' ' ' LEU . 24.1 p -159.19 60.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.244 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . 0.597 ' N ' ' OG1' ' C' ' 7' ' ' THR . . . -144.93 -82.34 0.05 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.942 ' O ' HG23 ' C' ' 7' ' ' THR . 0.1 OUTLIER -164.63 169.14 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.404 . . . . 0.0 110.799 -179.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.499 ' N ' ' HG3' ' C' ' 11' ' ' LYS . 24.2 m -97.07 108.94 21.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.509 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.29 137.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.725 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' C' ' 4' ' ' PHE . 78.2 m -111.09 122.02 46.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.418 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 mt -121.74 135.7 54.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.757 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -88.58 78.35 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' C' ' 56' ' ' LEU . 5.0 m -95.87 -170.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.669 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.478 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 31.6 mt-10 -141.25 145.94 40.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.349 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.43 -24.2 2.54 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.861 2.374 . . . . 0.0 112.34 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.9 6.06 33.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 12.3 m-20 -86.6 141.7 28.8 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -173.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 1.4 p -91.38 136.78 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.554 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.2 mm -39.37 -54.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -48.15 -44.18 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.425 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 35.9 t-20 -58.11 -48.43 80.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.266 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -55.41 -53.83 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.258 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -48.69 -35.99 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.239 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.75 -49.94 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.244 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.71 -31.86 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.429 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mt -72.52 -46.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -75.86 -39.1 57.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -67.45 -62.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -86.01 -97.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.16 6.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 44.2 mt -78.88 126.96 81.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.2 Cg_exo -73.43 144.66 36.77 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.585 2.19 . . . . 0.0 111.94 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.608 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.43 -48.3 13.76 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.831 2.354 . . . . 0.0 112.011 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.3 29.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' C' ' 38' ' ' PRO . 63.9 mt-30 -154.1 10.12 0.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.5 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 82.8 mt-30 -114.33 155.82 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.533 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -150.19 108.65 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.17 111.81 20.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.799 HD12 HG21 ' C' ' 70' ' ' VAL . 33.6 mt -115.18 123.97 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.512 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -119.32 107.05 12.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.78 25.07 14.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.88 65.03 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -100.77 105.48 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.644 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.28 130.61 41.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.43 131.39 34.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 9.6 mp0 -89.44 158.62 17.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.557 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.2 OUTLIER -70.39 163.23 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.59 -63.5 4.28 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' C' ' 54' ' ' ARG . 31.0 mmt-85 -46.82 165.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.548 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 54.6 p -111.48 166.83 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' C' ' 17' ' ' VAL . 71.0 mt -65.92 -17.46 64.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.604 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -78.76 -19.77 51.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -82.21 9.84 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -135.87 9.59 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 58.01 27.14 14.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.619 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -76.72 90.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -76.22 -157.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.665 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -81.15 159.73 24.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 58.52 34.36 23.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.722 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.7 m -90.07 129.58 36.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -90.67 115.28 27.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -106.57 121.36 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -81.06 103.65 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.94 119.29 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.799 HG21 HD12 ' C' ' 44' ' ' ILE . 1.6 t -116.87 149.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tp -87.29 157.55 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 65.83 146.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.656 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.852 HD23 ' N ' ' C' ' 73' ' ' LEU . 1.2 pt? -155.42 46.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 54.01 62.0 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.555 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.24 97.39 0.12 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.743 0 CA-C-O 117.975 -1.459 . . . . 0.0 110.991 -179.933 . . . . . . . . 0 0 . 1 stop_ save_